Consensus flow list

2-chloro-4-isocyanato-1-methylbenzene

fo-9925435f550c658a

Identity

Type
Neutral molecule
CAS
28479-22-3
EC
249-050-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-chloro-4-isocyanato-1-methylbenzene

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UKTKKMZDESVUEE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 2-chloro-4-isocyanato-1-methylbenzene
Molecular formula chemrof:molecular_formula C8H6ClNO
Molecular mass chemrof:molecular_mass 167.595
Monoisotopic mass chemrof:monoisotopic_mass 167.013791
SMILES string chemrof:smiles_string Cc1ccc(N=C=O)cc1Cl

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=28479-22-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.576 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5067390 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J68.770G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62832 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2236 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3428 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72454575 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
317551ed-12f7-47ac-8258-4cd40224549f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7f83952a-3c51-4e42-ae61-e14597c88ad8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
319393ed-e67b-4fa7-b9a6-dc0ad5609471 Environmental → Air → Indoor EF 3.1 kg 2
67f4c85e-f5ba-4277-8939-05e001438e46 Environmental → Air → Long-term EF 3.1 kg 0
57cf2225-dda6-47d8-9ca0-451e0c6b303a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
49192cf4-c113-4642-9bcb-4e320a910d2a Environmental → Air → Unknown EF 3.1 kg 2
a9fb34d2-a07f-42c0-a8c6-0cdf58453c74 Environmental → Ground → Agricultural EF 3.1 kg 2
83f455a9-fa2d-48e6-a999-849a64e2a52b Environmental → Ground → Non-agricultural EF 3.1 kg 2
61c1c4fd-e6cd-4b87-ab2d-abae5258a456 Environmental → Ground → Unknown EF 3.1 kg 2
80c8d6a5-fc61-4d86-9b54-f69d5d86cdfa Environmental → Water → Long-term EF 3.1 kg 0
9f849136-4022-48ec-a40d-1371a4e527fc Environmental → Water → Ocean EF 3.1 kg 2
cdc4eae9-6c89-4438-b0d7-a225e765be48 Environmental → Water → Surface water EF 3.1 kg 2
80f7ffe3-838d-4be8-8253-4d20d07727c1 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-9925435f550c658a",
  "prefLabel": [
    {
      "@value": "2-chloro-4-isocyanato-1-methylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloro-5-isocyanato-2-methylbenzene",
      "@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=28479-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloro-4-methylphenyl isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28479-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloro-4-tolyl isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloro-p-tolyl isocyanate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 2-chloro-4-isocyanato-1-methyl-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isocyanic acid, 3-chloro-p-tolyl ester",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "p-Methyl-m-chlorophenyl isocyanate",
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      "provenance": {
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  "properties": {
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}

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