3-amino-4-hydroxy-5-nitrobenzenesulphonic Acid

1-Amino-2-hydroxy-3-nitro-5-benzenesulfonic acid
1-Phenol-4-sulfonic acid, 2-amino-6-nitro-
2-Amino-6-nitro-1-phenol-4-sulfonic acid
2-Amino-6-nitro-4-sulfophenol
2-Amino-6-nitrophenol-4-sulfonic acid
2-Hydroxy-3-nitro-5-sulfoaniline
3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid
3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid
3-Amino-5-nitro-4-hydroxybenzenesulfonic acid
4-Hydroxy-5-nitrometanilic acid
6-Nitro-2-aminophenol-4-sulfonic acid
Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-
Metanilic acid, 4-hydroxy-5-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RHPXYZMDLOJTFF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)
IUPAC name chemrof:IUPAC_name	3-amino-4-hydroxy-5-nitrobenzenesulphonic 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(S(=O)(=O)O)cc([N+](=O)[O-])c1O

Where 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=96-93-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.316	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5074846	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1464200	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.942E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/3844407	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2585	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q72440048	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9b37a7e0-9c66-4bba-950d-49369b059be4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
85ff4ad7-0389-4bea-ace5-a259ba93199d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
83a46d1f-2670-4710-99fd-bb86719bdc4f	Environmental → Air → Indoor	EF 3.1	kg	2
8c3b7fd9-35a2-47a5-bc91-2b1b3f7381ed	Environmental → Air → Long-term	EF 3.1	kg	0
c99a1705-6016-42fb-aaf9-f982b9d436fe	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9c24fcfd-bfb9-4451-83fc-9903283bd58a	Environmental → Air → Unknown	EF 3.1	kg	2
2ad32773-9794-4116-8ad0-39363707281b	Environmental → Ground → Agricultural	EF 3.1	kg	2
d9376de6-1421-4679-9a6e-5ca180abd499	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
85e6bb2b-6f90-4884-85be-2289e1e2d184	Environmental → Ground → Unknown	EF 3.1	kg	2
790b981f-2035-43e1-91ba-46c3f6347b94	Environmental → Water → Long-term	EF 3.1	kg	0
2166a6b8-45e1-48a7-a0d3-939e6bbdc221	Environmental → Water → Ocean	EF 3.1	kg	2
95249772-8267-4ca6-a777-b59b8d3679ab	Environmental → Water → Surface water	EF 3.1	kg	2
fdaf2553-c341-4ceb-abde-28ac8b29fdf9	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=96-93-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=96-93-5"
        }
      ],
      "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": [
        "202-546-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-546-7"
      ],
      "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"
  ]
}

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

3-amino-4-hydroxy-5-nitrobenzenesulphonic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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