Consensus flow list

Identity

Type
Neutral molecule
CAS
87-60-5
EC
201-756-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-chloro-2-methylaniline

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZUVPLKVDZNDZCM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
IUPAC name chemrof:IUPAC_name 3-chloro-2-methylaniline
Molecular formula chemrof:molecular_formula C7H8ClN
Molecular mass chemrof:molecular_mass 141.601
Monoisotopic mass chemrof:monoisotopic_mass 141.034527
SMILES string chemrof:smiles_string Cc1c(N)cccc1Cl

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=87-60-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.597 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3024815 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6184 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1570069 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QG8LP81715 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.426D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6894 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27287248 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
24bb7e35-029d-4b18-a312-749a47f3d1e5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f0ffd242-cc60-4906-acc4-3ed74e28a004 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
483b2aec-40d5-4766-8506-b40cb7eb4ce2 Environmental → Air → Indoor EF 3.1 kg 2
364dd7dd-808d-4c53-b978-b0f9094416c0 Environmental → Air → Long-term EF 3.1 kg 0
1960db2b-76dc-4a33-a9bc-879b2144a055 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bc3e649e-1726-4185-a0cd-b7f63c8277e6 Environmental → Air → Unknown EF 3.1 kg 2
79542e73-5c51-4a63-979e-0de5c7505bdb Environmental → Ground → Agricultural EF 3.1 kg 2
4c0e6b06-8702-4323-aa6e-ba611396d874 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6faf436f-ddf4-4001-8802-c973fd2c1031 Environmental → Ground → Unknown EF 3.1 kg 2
d539bbc4-7a24-4313-8d5d-abe7bdc983ec Environmental → Water → Long-term EF 3.1 kg 0
eb28b7b5-a829-41d8-8bc7-b0afc7312ad9 Environmental → Water → Ocean EF 3.1 kg 2
9a7b2e20-0ba7-441a-ad66-e7ad43b5e575 Environmental → Water → Surface water EF 3.1 kg 2
6df4f0d1-eed7-4dc3-845c-6b9f9eaa1491 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c000d688f1287dc3",
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      "@value": "3-chloro-2-methylaniline",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
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      "@lang": "en",
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    {
      "@value": "1-Chloro-2-methyl-3-aminobenzene",
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    },
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        "C7H8ClN": [
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "87-60-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=87-60-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=87-60-5"
        }
      ],
      "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": [
        "201-756-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=201-756-6"
      ],
      "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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