Consensus flow list

Identity

Type
Neutral molecule
CAS
122-01-0
EC
204-515-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-chlorobenzoyl Chloride

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RKIDDEGICSMIJA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
IUPAC name chemrof:IUPAC_name 4-chlorobenzoyl Chloride
Molecular formula chemrof:molecular_formula C7H4Cl2O
Molecular mass chemrof:molecular_mass 175.014
Monoisotopic mass chemrof:monoisotopic_mass 173.96392
SMILES string chemrof:smiles_string O=C(Cl)c1ccc(Cl)cc1

Known URLs

12

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=122-01-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:60716 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.106 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4051619 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8UQ7JCV2YP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.365B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=61241 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8501 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/13704282 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7120066 enrich_references.chebi_xrefs
reaxys reaxys:471606 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q17521019 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2c8adc61-fe42-4575-884a-c4aafbc3ea39 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ec6a02ea-d147-472d-8487-7903595f20a3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6c82c499-8f96-4884-9fb7-93e773296e10 Environmental → Air → Indoor EF 3.1 kg 2
bfef585c-f2e1-4387-8c0d-2966eae6a410 Environmental → Air → Long-term EF 3.1 kg 0
08033889-d046-4ec6-bb57-6981c786bb58 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0a17175d-d210-42e5-8935-7b5be541e89d Environmental → Air → Unknown EF 3.1 kg 2
5284e733-6e57-4581-ad5f-0be08ead677d Environmental → Ground → Agricultural EF 3.1 kg 2
770285f8-02dc-4061-bb2d-9da917fc605c Environmental → Ground → Non-agricultural EF 3.1 kg 2
5c5e75fa-75ef-4beb-8667-7b9e4e02a6cd Environmental → Ground → Unknown EF 3.1 kg 2
5f68df13-ab54-43c5-8c2f-a1fa1ef60eea Environmental → Water → Long-term EF 3.1 kg 0
982f235c-49c4-45d4-b0cc-ae6dae9bffe5 Environmental → Water → Ocean EF 3.1 kg 2
97e077fd-afa0-4dd4-85c2-4587d2435e05 Environmental → Water → Surface water EF 3.1 kg 2
006209d7-6c64-4630-9b24-5419a5cb0e39 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-415d2bda4ffbea5c",
  "prefLabel": [
    {
      "@value": "4-chlorobenzoyl Chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Chlorobenzoic acid chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=122-01-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoyl chloride, 4-chloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoyl chloride, p-chloro-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chlorobenzoyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "para-Chlorobenzoyl chloride",
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}

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