Brightway Flows 1.0
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3,4-diaminobenzenesulfonic Acid

fo-919dc000e10317ac

Identity

Type
Neutral molecule
CAS
7474-78-4
EC
231-274-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,4-diaminobenzenesulfonic Acid

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FKSRSWQTEJTBMI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2O3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
IUPAC name chemrof:IUPAC_name 3,4-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(S(=O)(=O)O)cc1N

Known URLs

8

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=7474-78-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.431 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4064715 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=401086 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J9E8XPC6K2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J168.265B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/81986 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72462661 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cb1c041e-a178-48ac-b437-f97caeefdc97 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ff240c27-b646-4e6f-8dae-ec1234aa51e8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1688dcd6-0c70-4ac7-94e8-692c65329eea Environmental → Air → Indoor EF 3.1 kg 2
6a887d08-ea33-4a21-b0e8-8bd56cdc49ad Environmental → Air → Long-term EF 3.1 kg 0
ab74f256-3f1e-4b85-8212-965748607c49 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ee7cdf7a-51a9-4e4b-b20b-6d2deb0d6329 Environmental → Air → Unknown EF 3.1 kg 2
dd7c2e4e-abe2-4980-a82c-f51d0fd671b5 Environmental → Ground → Agricultural EF 3.1 kg 2
bb7177d7-2cd4-4095-ab69-f9a87c1544d2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7ffebfc6-2fec-476d-80c4-acefb92684d3 Environmental → Ground → Unknown EF 3.1 kg 2
362ac957-9089-43b9-b396-6451e393a456 Environmental → Water → Long-term EF 3.1 kg 0
63d1ec82-c3e5-423f-90fe-2513b944ccb2 Environmental → Water → Ocean EF 3.1 kg 2
4070965e-1742-46f5-bc27-e900fa30b9d5 Environmental → Water → Surface water EF 3.1 kg 2
74769313-2944-4b09-b2e2-89ce7c37f3dc 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-919dc000e10317ac",
  "prefLabel": [
    {
      "@value": "3,4-diaminobenzenesulfonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Amino-3-ammoniobenzenesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 3,4-diamino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C6H8N2O3S"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
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    },
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        "FKSRSWQTEJTBMI-UHFFFAOYSA-N"
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    "https://w3id.org/chemrof/IUPAC_name": {
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      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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        },
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      ],
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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      "provenance": [
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          ]
        },
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "188.025563": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J168.265B",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
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  ],
  "created_from": {
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    "seed_uuid": "1688dcd6-0c70-4ac7-94e8-692c65329eea",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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}

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