Consensus flow list

Identity

Type
Neutral molecule
CAS
5367-28-2
EC
226-355-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-chloro-6-nitrotoluene

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NSMZCUAVEOTJDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 3-chloro-6-nitrotoluene
Molecular formula chemrof:molecular_formula C7H6ClNO2
Molecular mass chemrof:molecular_mass 171.583
Monoisotopic mass chemrof:monoisotopic_mass 171.008706
SMILES string chemrof:smiles_string Cc1cc(Cl)ccc1[N+](=O)[O-]

Known URLs

6

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=5367-28-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.959 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80201912 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.343K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79329 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72456202 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a52ef833-e6ed-4702-80aa-0ac8fe478da5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
05386a01-e870-435f-b14d-7838f4eea507 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ff92d4ab-d515-4183-bda6-9b07bf2afeed Environmental → Air → Indoor EF 3.1 kg 2
55fceb1b-55f3-4bad-8031-17f82b3eeb63 Environmental → Air → Long-term EF 3.1 kg 0
2c0c39f4-0e2d-44bb-a3cf-64bd530e4d0d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0a5ca3e0-0740-4957-a29a-f87b3164c39d Environmental → Air → Unknown EF 3.1 kg 2
dc6c0cca-a2d5-4c31-a9e9-a261d0d1bc4f Environmental → Ground → Agricultural EF 3.1 kg 2
6db97cb0-1b3c-40cf-b795-10ddb1c9e14e Environmental → Ground → Non-agricultural EF 3.1 kg 2
2520a52f-d198-4c8b-83ad-3bdd5515de61 Environmental → Ground → Unknown EF 3.1 kg 2
10e2620f-3a2c-4275-8ee1-cba6657995d1 Environmental → Water → Long-term EF 3.1 kg 0
8a4db478-3d2f-47d5-906e-2539914b88e0 Environmental → Water → Ocean EF 3.1 kg 2
d9a211c7-bbd4-46c1-833d-bc20525563bc Environmental → Water → Surface water EF 3.1 kg 2
f9f14006-83f6-449e-a1d0-624d7b23ce17 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-dfe2ef5129733b6b",
  "prefLabel": [
    {
      "@value": "3-chloro-6-nitrotoluene",
      "@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": "1-Chloro-3-methyl-4-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5367-28-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Nitro-5-chlorotoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5367-28-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-4-nitrochlorobenzene",
      "@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": "4-Chloro-2-methyl-1-nitrobenzene",
      "@language": "en",
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      }
    },
    {
      "@value": "4-Chloro-2-methylnitrobenzene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "5-Chloro-2-nitrotoluene",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Benzene, 4-chloro-2-methyl-1-nitro-",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Toluene, 5-chloro-2-nitro-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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  "created_from": {
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  "@type": [
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}

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