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2,5-diaminobenzenesulfonic Acid

fo-409421aa2c3161b4

Identity

Type
Neutral molecule
CAS
88-45-9
EC
201-832-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,5-diaminobenzenesulfonic Acid

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HEAHMJLHQCESBZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
IUPAC name chemrof:IUPAC_name 2,5-diaminobenzenesulfonic Acid
Molecular formula chemrof:molecular_formula C6H8N2O3S
Molecular mass chemrof:molecular_mass 188.208
Monoisotopic mass chemrof:monoisotopic_mass 188.025563
SMILES string chemrof:smiles_string Nc1ccc(N)c(S(=O)(=O)O)c1

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=88-45-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.666 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7058969 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UP8112D78N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J168.263F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66617 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27291186 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ba7c2dd3-cfa6-4290-a716-1c047859e390 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5e505747-ef03-440f-b96d-1e6b3bc88b20 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1648ab87-e23c-4998-b665-4379ebc9359c Environmental → Air → Indoor EF 3.1 kg 4
f453712d-4444-4846-b0a5-256c8df2e4a1 Environmental → Air → Long-term EF 3.1 kg 0
47b88321-0487-4f8f-ac02-121bb75f6422 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
36138a76-96f5-4d1e-875c-ed41a227a7b8 Environmental → Air → Unknown EF 3.1 kg 4
a16eddef-bd69-4e1d-b717-f0233bfac6e8 Environmental → Ground → Agricultural EF 3.1 kg 4
a1b08b77-f2e5-4db0-a15e-5e4b0d72d418 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5d00dac2-9bcd-4b69-8b4e-5ade377f7365 Environmental → Ground → Unknown EF 3.1 kg 4
ebdc00ee-419b-44d5-8577-3a7e38651078 Environmental → Water → Long-term EF 3.1 kg 0
996b53cf-20c8-4315-b1e9-c015832b4fa3 Environmental → Water → Ocean EF 3.1 kg 4
90d4570b-97f0-4132-83e6-ba2520ad1787 Environmental → Water → Surface water EF 3.1 kg 4
c62e2aab-8d41-4ed9-82be-ab955b67bb8d Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-409421aa2c3161b4",
  "prefLabel": [
    {
      "@value": "2,5-diaminobenzenesulfonic 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": "1,4-Diamino-2-benzenesulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Diaminobenzene-2-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Diaminobenzene-3-sulfonic acid",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "1,4-Phenylenediamine-2-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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    },
    {
      "@value": "1,4-Phenylenediamine-3-sulfonic acid",
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    },
    {
      "@value": "2,5-Diaminobenzene-1-sulfonic acid",
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    },
    {
      "@value": "2,5-Diaminophenyl-1-sulfonic acid",
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    },
    {
      "@value": "2-Sulfo-1,4-phenylenediamine",
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    },
    {
      "@value": "Benzenesulfonic acid, 2,5-diamino-",
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    },
    {
      "@value": "p-Phenylenediamine-2-sulfonic acid",
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}

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