2-aminobenzene-1,4-disulfonic Acid

1,4-Benzenedisulfonic acid, 2-amino-
1-Amino-2,5-benzenedisulfonic acid
1-Anilino-2,5-disulfonic acid
2,5-Disulfo-1-aminobenzene
2,5-Disulfoaniline
2-Amino-1,4-benzenedisulfonic acid
2-Amino-1,4-disulfobenzene
2-Amino-p-benzenedisulfonic acid
4-Sulfometanilic acid
6-Aminobenzene-1,4-disulfonic acid
Aniline-2,5-disulfonic acid
p-Benzenedisulfonic acid, 2-amino-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LDCCBULMAFILCT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
IUPAC name chemrof:IUPAC_name	2-aminobenzene-1,4-disulfonic Acid
Molecular formula chemrof:molecular_formula	C6H7NO6S2
Molecular mass chemrof:molecular_mass	253.257
Monoisotopic mass chemrof:monoisotopic_mass	252.971479
SMILES string chemrof:smiles_string	Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

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=98-44-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.427	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8044751	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5580	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184682	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5E2OT6T2PS	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.497C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/60988	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166701	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27261901	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
56ab978b-3599-4367-9ef3-21b636c647e7	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
1833ec03-f735-4ff8-84c8-d7925fd3f0ba	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
6b396bfd-3d5c-429d-b7d0-b0d279d350ac	Environmental → Air → Indoor	EF 3.1	kg	2
134107f5-b526-4248-ad93-12d3cf16d7bf	Environmental → Air → Long-term	EF 3.1	kg	0
7507f25b-68ca-493d-9a8e-dd0953bfceb3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9a865478-3001-4059-a182-38f399ce1df9	Environmental → Air → Unknown	EF 3.1	kg	2
cf16e6ef-5394-48c9-850b-63489192219b	Environmental → Ground → Agricultural	EF 3.1	kg	2
0a3fd36f-6c5c-4455-9b9e-5fe5b18ac691	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
dfce6ca0-88c7-46b8-9fc4-00493db1a6f6	Environmental → Ground → Unknown	EF 3.1	kg	2
ebdfe2a0-8bf2-4a86-a657-fabd7cf5ba55	Environmental → Water → Long-term	EF 3.1	kg	0
e85d3f72-19b5-4c3d-9208-4b6c7465d357	Environmental → Water → Ocean	EF 3.1	kg	2
d3f6819e-e02a-4157-968e-b501624c027f	Environmental → Water → Surface water	EF 3.1	kg	2
4dbebc6d-30e3-46fc-b8b8-c116930edd26	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "98-44-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=98-44-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=98-44-2"
        }
      ],
      "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": [
        "202-669-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-669-6"
      ],
      "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"
  ]
}

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

2-aminobenzene-1,4-disulfonic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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