Consensus flow list

Identity

Type
Neutral molecule
CAS
6331-96-0
EC
700-413-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-amino-4,5-dichlorobenzenesulfonic Acid

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AKLDPNVZTZIVFA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)
IUPAC name chemrof:IUPAC_name 2-amino-4,5-dichlorobenzenesulfonic Acid
Molecular formula chemrof:molecular_formula C6H5Cl2NO3S
Molecular mass chemrof:molecular_mass 242.083
Monoisotopic mass chemrof:monoisotopic_mass 240.936719
SMILES string chemrof:smiles_string Nc1cc(Cl)c(Cl)cc1S(=O)(=O)O

Known URLs

9

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=6331-96-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.148.996 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.239.249 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5074921 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37399 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SPR3EJU6CK enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.649.687J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/235712 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72465409 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3696cee8-cace-45ca-bc44-33da3e2d1a4c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
af913f44-6ca4-407e-b581-a8809d9f64b9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
52f20ec9-0b3f-4fa6-89df-30b204085c8f Environmental → Air → Indoor EF 3.1 kg 2
2b882ebf-45eb-4c1f-bd41-b8c56d2fe285 Environmental → Air → Long-term EF 3.1 kg 0
1e29b539-f18d-4699-8b9b-66fc4172a0fe Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8af9cdfd-d640-46d0-9af2-f6c85e005b29 Environmental → Air → Unknown EF 3.1 kg 2
b2b59c54-0c37-4509-aac4-6695eb772ac4 Environmental → Ground → Agricultural EF 3.1 kg 2
c65c5e91-d94c-4b70-98d4-4b38bcc082ae Environmental → Ground → Non-agricultural EF 3.1 kg 2
c0212512-fefd-4856-b8c9-9b253617cc99 Environmental → Ground → Unknown EF 3.1 kg 2
faf68c57-800e-4acc-8cbd-b201663d4ab4 Environmental → Water → Long-term EF 3.1 kg 0
5eba3ec2-2a19-4d7f-8004-3355e225a4ca Environmental → Water → Ocean EF 3.1 kg 2
bca7e0ec-6e4a-4c13-bba3-238e15281888 Environmental → Water → Surface water EF 3.1 kg 2
fd27ffcb-33de-45ef-9226-ef4271420bbf 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-cc04660b4e390923",
  "prefLabel": [
    {
      "@value": "2-amino-4,5-dichlorobenzenesulfonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Amino-4,5-dichlorobenzene-1-sulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:6331-96-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6331-96-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Azaniumyl-4,5-dichlorobenzenesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dichloroaniline-6-sulfonic acid",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 2-amino-4,5-dichloro-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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