Acetyl Chloride

acetic acid chloride
acetic chloride
CH3-CO-Cl
CH3COCl
ethanoyl chloride

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	WETWJCDKMRHUPV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C2H3ClO/c1-2(3)4/h1H3
IUPAC name chemrof:IUPAC_name	Acetyl Chloride
Molecular formula chemrof:molecular_formula	C2H3ClO
Molecular mass chemrof:molecular_mass	78.498
Monoisotopic mass chemrof:monoisotopic_mass	77.98724, 77.987242
SMILES string chemrof:smiles_string	CC(=O)Cl

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
beilstein	beilstein:605303	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=75-36-5	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37580	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.000.787	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0210	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2023852	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB14623	enrich_references.pubchem_identifier_url
gmelin	gmelin:1611	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QD15RNO45K	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0247922	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.453B	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55629	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6367	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1717	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q408038	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Acetyl_chloride	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
68a5d2fe-70b8-43b7-ae3b-7cc445b2d351	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4b6d5287-fec1-47ac-83be-72d0aba444c4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
0e95fecf-9000-4f31-880c-8277bafee317	Environmental → Air → Indoor	EF 3.1	kg	2
b633fce1-ff72-4ecb-9f3b-401e1b281200	Environmental → Air → Long-term	EF 3.1	kg	0
271fed40-2490-4718-ac92-a0aa24abdb01	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
ee430f70-3749-40bb-b0ca-279e267dce28	Environmental → Air → Unknown	EF 3.1	kg	2
b5d7cdb7-0b13-4876-be07-600bd03773da	Environmental → Ground → Agricultural	EF 3.1	kg	2
6f66b935-69c6-4036-996c-afb223908e2a	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6eebccc1-fe5a-4af1-894b-d7699a93ad2d	Environmental → Ground → Unknown	EF 3.1	kg	2
89937b94-edc8-46a3-adba-a5780d290a49	Environmental → Water → Long-term	EF 3.1	kg	0
45f3ca11-a682-42b6-85b2-404de8cab887	Environmental → Water → Ocean	EF 3.1	kg	2
a6e386f6e0d2b77c6e39dbbc24315130f18fcb26	Environmental → Water → River	bafu algorithm addition	kg	0
343c6bab-3b25-4d43-ba73-e2b3cd413fc4	Environmental → Water → Surface water	EF 3.1	kg	2
5b47ffa2c7b05e7c2abab1f825d435a8fc0b32bd	Environmental → Water → Unconfined aquifer	ecoinvent algorithm addition	kg	0
8bbbd28d-9d42-411d-8b21-84b98e75110e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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        "https://commonchemistry.cas.org/detail?cas_rn=75-36-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=75-36-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "200-865-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=200-865-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Acetyl Chloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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