2-methoxy-4-nitroaniline
fo-ce702d0f992b34f6
Identity
- Type
- Neutral molecule
- CAS
- 97-52-9
- EC
- 202-588-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
41- 1-Amino-2-methoxy-4-nitrobenzene
- 2-Amino-1-methoxy-5-nitrobenzene
- 2-Amino-5-nitroanisole
- 2-Methoxy-4-nitrobenzenamine
- 3-Methoxy-4-aminonitrobenzene
- 3-Nitro-6-aminoanisole
- 4-Amino-3-methoxynitrobenzene
- 4-Nitro-2-methoxyaniline
- 4-Nitro-6-methoxyaniline
- 4-Nitro-o-anisidine
- Amarthol Fast Red B Base
- Azoamine Pink O
- Azoene Fast Red B Base
- Benzenamine, 2-methoxy-4-nitro-
- Brentamine Fast Red B Base
- Dainichi Fast Red B Base
- Daito Red Base B
- Devol Red E
- Diabase Red B
- Fast Red 5NA Base
- Fast Red B Base
- Fast Red B-T Base
- Fast Red Base B
- Hiltonil Fast Red B Base
- Kako Red B Base
- Kayaku Red B Base
- Mitsui Red B Base
- Naphthanil Red B Base
- Naphtoelan Red B Base
- o-Anisidine, 4-nitro-
- o-Methoxy-p-nitroaniline
- p-Nitro-o-anisidine
- PNOA
- Red B Base
- Red Base Ciba V
- Red Base Irga V
- Red Base NB
- Sanyo Fast Red B Base
- Shinnippon Fast Red B Base
- Showa Fast Red B Base
- Symulon Red B Base
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GVBHRNIWBGTNQA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-methoxy-4-nitroaniline |
| Molecular formula chemrof:molecular_formula | C7H8N2O3 |
| Molecular mass chemrof:molecular_mass | 168.152 |
| Monoisotopic mass chemrof:monoisotopic_mass | 168.053492 |
| SMILES string chemrof:smiles_string | COc1cc([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.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=97-52-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.354 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0038700 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4130 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1518220 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DPU26P1846 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2922.29.81.10 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.207D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7337 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27276523 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2-Methoxy-4-nitroaniline | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 55f14f0e-69a8-43c7-b477-a203cbdd1e86 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f83c2b68-3894-4c33-bc75-9ff6225f472d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f009d330-f4b9-4421-9583-8a2fc9cd6a76 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| e6ad5e1a-e3d8-4d3a-87f6-dd06d5ff14d7 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| adbfefdd-9346-4134-bb58-339329b293c8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 6c9dd670-c936-44cb-b6eb-fa734d3bede9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 56482c87-35c4-4d68-a329-028b19cf193b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 8e29c732-793a-4279-9388-9ec96368d29f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| f3e7161d-982f-43ee-9ad8-0c148cb4f866 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7ff971bb-d81e-40a2-83e3-91d731b22923 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| aa5e0d91-4c41-4952-bc27-22d89a84d148 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 1798776e-55dc-4fe8-ba7b-d98cb41c76ac | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| dbc6e53b-9455-47bf-b327-18345fb910c5 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-ce702d0f992b34f6",
"prefLabel": [
{
"@value": "2-methoxy-4-nitroaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1-Amino-2-methoxy-4-nitrobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Amino-1-methoxy-5-nitrobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Amino-5-nitroanisole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Methoxy-4-nitrobenzenamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Methoxy-4-aminonitrobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Nitro-6-aminoanisole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Amino-3-methoxynitrobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Nitro-2-methoxyaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Nitro-6-methoxyaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Nitro-o-anisidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Amarthol Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Azoamine Pink O",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Azoene Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 2-methoxy-4-nitro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Brentamine Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dainichi Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Daito Red Base B",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Devol Red E",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diabase Red B",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red 5NA Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red B-T Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fast Red Base B",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hiltonil Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kako Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayaku Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Mitsui Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Naphthanil Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Naphtoelan Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "o-Anisidine, 4-nitro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "o-Methoxy-p-nitroaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "p-Nitro-o-anisidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PNOA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red Base Ciba V",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red Base Irga V",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Red Base NB",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sanyo Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Shinnippon Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Showa Fast Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Symulon Red B Base",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:97-52-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H8N2O3"
],
"attested_by": {
"C7H8N2O3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1cc([N+](=O)[O-])ccc1N"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GVBHRNIWBGTNQA-UHFFFAOYSA-N"
],
"attested_by": {
"GVBHRNIWBGTNQA-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1cc([N+](=O)[O-])ccc1N"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"COc1cc([N+](=O)[O-])ccc1N"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2-methoxy-4-nitroaniline"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"COc1cc([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/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2-methoxy-4-nitroaniline"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)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": [
"2-methoxy-4-nitroaniline"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"2-methoxy-4-nitroaniline"
]
},
"attested_by": {
"2-methoxy-4-nitroaniline": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
168.152
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C=CC(=C1)[N+](=O)[O-])N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"168.152": [
"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": [
168.053492
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COC1=C(C=CC(=C1)[N+](=O)[O-])N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"COc1cc([N+](=O)[O-])ccc1N"
]
}
],
"attested_by": {
"168.053492": [
"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=J96.207D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.002.354",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=97-52-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"97-52-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0038700",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4130",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/2-Methoxy-4-nitroaniline",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DPU26P1846",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://hts.usitc.gov/search?query=2922.29.81.10",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/7337",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[97-52-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1518220",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27276523",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:7337;CAS:97-52-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[97-52-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1798776e-55dc-4fe8-ba7b-d98cb41c76ac",
"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": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"97-52-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=97-52-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"202-588-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-588-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works