4-nitro-o-toluidine
fo-d88037046245a674
Identity
- Type
- Neutral molecule
- CAS
- 99-52-5
- EC
- 202-762-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
45- 1-Amino-2-methyl-4-nitrobenzene
- 2-Amino-1-methyl-5-nitrobenzene
- 2-Amino-5-nitrotoluene
- 2-Methyl-4-nitrobenzenamine
- 2-Methyl-4-nitrophenylamine
- 2-Methyl-p-nitroaniline
- 3-Methyl-4-aminonitrobenzene
- 4-Nitro-2-methylaniline
- 4-Nitro-2-toluidine
- 4-Nitro-6-methylaniline
- 5-Nitro-2-aminotoluene
- Ansibases Red RL
- Azoene Fast Red GL Base
- Azogene Fast Red NRL Salt
- Azogene Fast Red RL
- Benzenamine, 2-methyl-4-nitro-
- Daito Red Base RL
- Devol Red RL
- Devol Red Salt E
- Diabase Red RL
- Fast Red 5NT
- Fast Red 5NT Salt
- Fast Red Base RL
- Fast Red RL Base
- Fast Red Salt RL
- Hiltonil Fast Red RL Base
- Hiltosal Fast Red RL Salt
- Kako Red RL Base
- Kayaku Red RL Base
- Meisei Fast Red RL Base
- Mitsui Red RL Base
- MNA (optical crystal)
- Naphtoelan Red RL Base
- o-Toluidine, 4-nitro-
- Red Base Ciba X
- Red Base Irga X
- Red Base NRL
- Red base RL
- Red RL Base
- Sanyo Fast Red RL Base
- Sanyo Fast Red Salt RL
- Spectrolene Red RL
- Symulon Red RL Base
- Tulabase Fast Red RL
- Yamada Fast Red RL Base
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XTTIQGSLJBWVIV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 4-nitro-o-toluidine |
| Molecular formula chemrof:molecular_formula | C7H8N2O2 |
| Molecular mass chemrof:molecular_mass | 152.153 |
| Monoisotopic mass chemrof:monoisotopic_mass | 152.058577 |
| SMILES string chemrof:smiles_string | Cc1cc([N+](=O)[O-])ccc1N |
Known URLs
11Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c9464e6c-c27d-4183-a534-b0e0055c0df4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f8d8a765-1f4f-4a29-885c-59d14e6ed9a6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d706319f-c8c7-47aa-ab18-0bac858f955b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 983c473f-f471-4013-860b-8af446e053b8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ecb01935-4f19-4062-b922-f5d5605bd4e7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| c0a6085a-04f6-4ec2-979d-3aa033d20ebb | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 09a90e61-e4e3-47af-a12a-b67fe666ce34 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a96ed8e5-76ff-4077-9967-407fbf6e5870 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b6ff68f7-a36c-4cf6-a7f8-d11c5895c2dc | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d288a82d-30d6-44b8-83fd-df5218aea884 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8d1772db-0f68-4d79-82c5-c204cd0b7e47 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 591b7e78-d3a1-4a6b-a997-4458bcb8d3b8 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 92334dc9-0526-425d-94e8-c61f6201ee88 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-d88037046245a674",
"prefLabel": [
{
"@value": "4-nitro-o-toluidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1-Amino-2-methyl-4-nitrobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Amino-1-methyl-5-nitrobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Amino-5-nitrotoluene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methyl-4-nitrobenzenamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methyl-4-nitrophenylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methyl-p-nitroaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Methyl-4-aminonitrobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Nitro-2-methylaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Nitro-2-toluidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Nitro-6-methylaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-Nitro-2-aminotoluene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ansibases Red RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Azoene Fast Red GL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Azogene Fast Red NRL Salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Azogene Fast Red RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 2-methyl-4-nitro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Daito Red Base RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Devol Red RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Devol Red Salt E",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diabase Red RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red 5NT",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red 5NT Salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red Base RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red Salt RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hiltonil Fast Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hiltosal Fast Red RL Salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kako Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayaku Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Meisei Fast Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mitsui Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MNA (optical crystal)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Naphtoelan Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "o-Toluidine, 4-nitro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red Base Ciba X",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red Base Irga X",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red Base NRL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red base RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sanyo Fast Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sanyo Fast Red Salt RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Spectrolene Red RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Symulon Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tulabase Fast Red RL",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Yamada Fast Red RL Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:99-52-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H8N2O2"
],
"attested_by": {
"C7H8N2O2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc([N+](=O)[O-])ccc1N"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XTTIQGSLJBWVIV-UHFFFAOYSA-N"
],
"attested_by": {
"XTTIQGSLJBWVIV-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc([N+](=O)[O-])ccc1N"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1cc([N+](=O)[O-])ccc1N"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-nitro-o-toluidine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"Cc1cc([N+](=O)[O-])ccc1N": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-nitro-o-toluidine"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4-nitro-o-toluidine"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-nitro-o-toluidine"
]
},
"attested_by": {
"4-nitro-o-toluidine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
152.153
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=C(C=CC(=C1)[N+](=O)[O-])N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"152.153": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
152.058577
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=C(C=CC(=C1)[N+](=O)[O-])N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"152.058577": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.088B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.002.511",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=99-52-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"99-52-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID3025629",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2075",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5508",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FFY36EWC4R",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7441",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[99-52-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2660",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1319213",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q63395972",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7441;CAS:99-52-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[99-52-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "09a90e61-e4e3-47af-a12a-b67fe666ce34",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"99-52-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=99-52-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"202-762-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-762-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}