Consensus flow list

Identity

Type
NeutralMolecule
CAS
137-51-9
EC
205-299-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-aminobenzene-1,3-disulfonic Acid

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IMUUNYPYNWXUBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
IUPAC name chemrof:IUPAC_name 4-aminobenzene-1,3-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 Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

Known URLs

7

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=137-51-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.818 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4059675 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OBE9XQ0O96 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.457K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67304 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27894499 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
313214a4-f1d4-4279-99b0-167eef775c22 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0188b976-4667-49cf-8fe9-a08b59689576 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c84f6868-2450-4056-90a2-d954a198aa46 Environmental → Air → Indoor EF 3.1 kg 2
30788b50-c826-440f-870d-80d5c4a85060 Environmental → Air → Long-term EF 3.1 kg 0
f8fa548a-6593-452a-b8af-4888baafdef7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c42cbd3e-4945-4e93-8eaa-0ae3fa8c5749 Environmental → Air → Unknown EF 3.1 kg 2
a79c5dc8-c37e-48b6-aad5-4d63a221849f Environmental → Ground → Agricultural EF 3.1 kg 2
b02bcdd9-3090-4476-8aba-496c9409c9a4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
06283e71-d0fa-4965-b983-2e4e7251e114 Environmental → Ground → Unknown EF 3.1 kg 2
b2d156e9-178b-47de-9c71-399650776348 Environmental → Water → Long-term EF 3.1 kg 0
12d366bc-4bab-4eb1-8cb0-ff8170dfae66 Environmental → Water → Ocean EF 3.1 kg 2
092048e7-19ff-4230-877c-2d466a920a03 Environmental → Water → Surface water EF 3.1 kg 2
265ca114-1e48-473b-a4b5-21c5d745f425 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c4286c9969fdd75c",
  "prefLabel": [
    {
      "@value": "4-aminobenzene-1,3-disulfonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Benzenedisulfonic acid, 4-amino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:137-51-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=137-51-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Amino-2,4-benzenedisulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:137-51-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=137-51-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Aminobenzene-1,5-disulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=137-51-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-1,3-benzenedisulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=137-51-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-m-benzenedisulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Amino-1,3-benzenedisulfonic acid",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Aniline-2,4-disulfonic acid",
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      }
    },
    {
      "@value": "m-Benzenedisulfonic acid, 4-amino-",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=137-51-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    }
  ],
  "properties": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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