Chloroacetyl Chloride

2-Chloroacetyl chloride
9: PN: WO2007101224 PAGE: 36 claimed sequence
Acetyl chloride, 2-chloro-
Acetyl chloride, chloro-
Chloracetyl chloride
Chloro (chloromethyl) ketone
Chloroacetic acid chloride
Chloroacetic chloride
Chloroethanoyl chloride
Monochloroacetyl chloride
α-Chloroacetic chloride

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	VGCXGMAHQTYDJK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2
IUPAC name chemrof:IUPAC_name	Chloroacetyl Chloride
Molecular formula chemrof:molecular_formula	C2H2Cl2O
Molecular mass chemrof:molecular_mass	112.943
Monoisotopic mass chemrof:monoisotopic_mass	111.94827
SMILES string chemrof:smiles_string	O=C(Cl)CCl

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=79-04-9	enrich_references.chebi_xrefs
cdc.gov	https://www.cdc.gov/niosh-rtecs/AO62CCF8.html	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34624	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.001.065	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0845	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4026472	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187685	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K5UML06YUO	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0060452	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.490G	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C14859	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C14859	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130680	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6577	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1752	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q411258	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Chloroacetyl_chloride	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
152e7d75-1731-4fe3-b846-2a54854a2a62	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
add57a49-627c-42c4-8274-65e7c58eb803	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
0761f405-6d56-4e73-86f3-dd1cbfd1034a	Environmental → Air → Indoor	EF 3.1	kg	4
bf33bf5a-71c0-4abe-b7e9-b392108c6aba	Environmental → Air → Long-term	EF 3.1	kg	0
a069606d-59c8-4817-ae70-c1c9d33786f9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
045bf7eb-8397-4021-8e72-6d173ebdbd2d	Environmental → Air → Unknown	EF 3.1	kg	4
3c3186e5-5112-4e8c-ab22-7f0c7a41f323	Environmental → Ground → Agricultural	EF 3.1	kg	4
5907a96e-7af8-4ce8-ba87-2dd6338e9266	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
51a06fd1-f6ff-4dd9-9448-3416126401fc	Environmental → Ground → Unknown	EF 3.1	kg	4
b7cb98ab-5009-439e-87c7-59a1da09cde6	Environmental → Water → Long-term	EF 3.1	kg	0
bb4ae57e-5ac7-4f22-93a7-cd9d86d14a72	Environmental → Water → Ocean	EF 3.1	kg	4
d0262f37d88b05a1369727645e506159f2cbd5ee	Environmental → Water → River	bafu algorithm addition	kg	0
d7836a50-0ae6-4443-8350-52cfb935e3ea	Environmental → Water → Surface water	EF 3.1	kg	4
c6a88ec23c99b378bc025608e8db9b0210a9a973	Environmental → Water → Unconfined aquifer	ecoinvent algorithm addition	kg	0
cb823561-ef07-4207-91eb-7cd65bca274f	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
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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

Chloroacetyl Chloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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