Consensus flow list

Identity

Type
NeutralMolecule
CAS
3320-83-0
EC
222-023-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-chloro-2-isocyanatobenzene

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NOHQUGRVHSJYMR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
IUPAC name chemrof:IUPAC_name 1-chloro-2-isocyanatobenzene
Molecular formula chemrof:molecular_formula C7H4ClNO
Molecular mass chemrof:molecular_mass 153.568
Monoisotopic mass chemrof:monoisotopic_mass 152.998141
SMILES string chemrof:smiles_string O=C=Nc1ccccc1Cl

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=3320-83-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=51134-03-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.022 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.802 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5062974 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8761 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.178G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76833 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72457064 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
adf7c9f2-3107-405f-8f1b-cc531953c56f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
39147f2f-8705-4b8b-a006-ebeb2174fb72 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
60a2a392-6c1f-4071-b292-7aeaea9aac00 Environmental → Air → Indoor EF 3.1 kg 2
20d20dbf-1bfe-4f1e-a24c-d4db3c6a50cf Environmental → Air → Long-term EF 3.1 kg 0
405e99c0-fdf4-445c-84c5-1c3b4b7d5b10 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e83a0051-c26b-4f87-aeb5-50976db3d0cb Environmental → Air → Unknown EF 3.1 kg 2
b7a739c6-b648-474c-a13e-a0088e96d0a5 Environmental → Ground → Agricultural EF 3.1 kg 2
e2a0011e-5af2-46dd-9e4a-55cfc7de0d0d Environmental → Ground → Non-agricultural EF 3.1 kg 2
4a15be9b-6384-4b1e-867b-168fec0e086b Environmental → Ground → Unknown EF 3.1 kg 2
a74dab95-90fb-42d1-ba4c-b3bfed0b0e2e Environmental → Water → Long-term EF 3.1 kg 0
5816e1eb-7ff2-40ad-8324-a33236ab823c Environmental → Water → Ocean EF 3.1 kg 2
eeed63ae-0733-4e26-9378-23ab6a023fe4 Environmental → Water → Surface water EF 3.1 kg 2
778c807b-baed-4b68-9aa4-2f6ba936a3e5 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-3f02489a66aff33b",
  "prefLabel": [
    {
      "@value": "1-chloro-2-isocyanatobenzene",
      "@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-Chlorobenzene isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3320-83-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3320-83-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chlorophenyl isocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3320-83-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3320-83-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-2-isocyanato-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isoacyanic acid, o-chlorophenyl ester",
      "@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": "Isocyanic acid, o-chlorophenyl ester",
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    {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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