Consensus flow list

Identity

Type
Neutral molecule
CAS
79-04-9
EC
201-171-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Chloroacetyl Chloride

Alternative labels

11

Properties

PropertyValue
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

Known URLs

17

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.org https://www.wikidata.org/wiki/Q411258 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chloroacetyl_chloride enrich_references.pubchem_identifier_url

Elementary flows

15
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

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f9c80a876e9f4d2f",
  "prefLabel": [
    {
      "@value": "Chloroacetyl Chloride",
      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Chloroacetyl chloride",
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      "@lang": "en",
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    {
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    },
    {
      "@value": "Acetyl chloride, 2-chloro-",
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    },
    {
      "@value": "Acetyl chloride, chloro-",
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    },
    {
      "@value": "Chloracetyl chloride",
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    },
    {
      "@value": "Chloroacetic acid chloride",
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    },
    {
      "@value": "Chloroethanoyl chloride",
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