3-amino-2-hydroxy-5-nitrobenzenesulfonic Acid
fo-f6b4f526f1ac4fc5
Identity
- Type
- Neutral molecule
- CAS
- 96-67-3
- EC
- 202-523-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
13- 1-Amino-2-hydroxy-5-nitro-3-benzenesulfonic acid
- 1-Hydroxy-2-amino-4-nitrobenzene-6-sulfonic acid
- 1-Phenol-2-sulfonic acid, 6-amino-4-nitro-
- 2-Amino-4-nitro-6-sulfophenol
- 2-Amino-4-nitrophenol-6-sulfonic acid
- 2-Aminophenol-4-nitro-6-sulfonic acid
- 2-Hydroxy-5-nitro-3-sulfoaniline
- 3-Amino-2-hydroxy-5-nitrobenzene-1-sulfonic acid
- 4-Nitro-2-aminophenol-6-sulfonic acid
- 6-Amino-4-nitro-1-phenol-2-sulfonic acid
- 6-Amino-4-nitrophenol-2-sulfonic acid
- Benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro-
- Metanilic acid, 2-hydroxy-5-nitro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DQIVFTJHYKDOMZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/h1-2,9H,7H2,(H,12,13,14) |
| IUPAC name chemrof:IUPAC_name | 3-amino-2-hydroxy-5-nitrobenzenesulfonic Acid |
| Molecular formula chemrof:molecular_formula | C6H6N2O6S |
| Molecular mass chemrof:molecular_mass | 234.189 |
| Monoisotopic mass chemrof:monoisotopic_mass | 233.994657 |
| SMILES string chemrof:smiles_string | Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O |
Known URLs
10Where 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=96-67-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.295 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.098.727 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3024495 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7541 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3K0N8U029N | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.686E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4312530 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2585 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27894131 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4fcede91-5ea5-44e0-b95d-be2f286f0283 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6fba6fb5-3dfb-417d-b2bb-202e1ac062b5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8c0f0fe6-8576-4f14-892e-75c97cfdc0e0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| aedcb3a1-9241-4ce0-9f93-6e8da01c578b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9653ab75-f34d-404c-9e33-0c080bcbf03c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 1adb9341-1f33-4d61-a03c-e3f2fa3f0534 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| cc2fcecc-c547-43d0-b8df-43327a080872 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| aa6a4e27-93f4-4b4e-87a1-82e8df48bd7d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| b404ca88-b17e-492c-b36a-2ca76eada005 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4b0c9c4a-ff4f-497b-9755-599ccee03b7d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ac342133-677a-49d1-9b0c-3937b44adfa7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 06551a1b-ee37-4b73-be16-e56ca4ba7b51 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| cff28d04-a698-46bd-92ef-71c02b1f39f9 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"96-67-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=96-67-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=96-67-3"
}
],
"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": [
"202-523-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-523-1"
],
"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