Consensus flow list

Identity

Type
Neutral molecule
CAS
88-51-7
EC
201-837-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-amino-4-chloro-5-methylbenzenesulfonic Acid

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VRLPHBSFRWMMPW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)
IUPAC name chemrof:IUPAC_name 2-amino-4-chloro-5-methylbenzenesulfonic Acid
Molecular formula chemrof:molecular_formula C7H8ClNO3S
Molecular mass chemrof:molecular_mass 221.665
Monoisotopic mass chemrof:monoisotopic_mass 220.991342
SMILES string chemrof:smiles_string Cc1cc(S(=O)(=O)O)c(N)cc1Cl

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=88-51-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.670 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026527 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3560120 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9QN6JT928N enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2921.43.90.20 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J156.650D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6935 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27272900 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
75126985-059e-4b54-808d-cf7c3b3b9cf7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
92e9a74e-0e00-454c-a443-e18881223ab8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e577abc6-0a3c-4ca8-82ab-7759dd234542 Environmental → Air → Indoor EF 3.1 kg 4
f041ec74-4be3-4d28-95bd-37b5713d560a Environmental → Air → Long-term EF 3.1 kg 0
16c2ee14-21ee-4003-9e4b-53381d7f8920 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
398202b9-628d-498d-bbb4-b01351f86b6a Environmental → Air → Unknown EF 3.1 kg 4
038c146a-51b6-4a6b-9365-20e934b542b4 Environmental → Ground → Agricultural EF 3.1 kg 4
42f731d4-a73f-48c6-8607-e04ad9337972 Environmental → Ground → Non-agricultural EF 3.1 kg 4
89f67163-1f43-424e-89e4-3875f2edbf4d Environmental → Ground → Unknown EF 3.1 kg 4
8a963b45-798c-4e0b-b93a-0ca908e03087 Environmental → Water → Long-term EF 3.1 kg 0
d9baac2d-56c4-4d18-9fa6-0d954730bdb0 Environmental → Water → Ocean EF 3.1 kg 4
64097c7a-090b-47b7-a886-028011e3b53a Environmental → Water → Surface water EF 3.1 kg 4
fc0e5907-590e-47e5-ae70-f0161be8b8a9 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-73441399b18b4d2a",
  "prefLabel": [
    {
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
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    },
    {
      "@value": "2-Amino-4-chloro-5-methyl-1-benzenesulfonic acid",
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    {
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      "@value": "3-Chloro-4-methylaniline-6-sulfonic acid",
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    {
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    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "88-51-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=88-51-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=88-51-7"
        }
      ],
      "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": [
        "201-837-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=201-837-6"
      ],
      "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"
  ]
}

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