CHEBI:156485 - 1,3-dichloroacetone

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ChEBI Name 1,3-dichloroacetone
ChEBI ID CHEBI:156485
Definition A ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups. It is used in the synthesis of citric acid. Also used as a solvent and as an intermediate in organic synthesis.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Micheal Alexander
Secondary ChEBI IDs CHEBI:47316
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Formula C3H4Cl2O
Net Charge 0
Average Mass 126.960
Monoisotopic Mass 125.96392
InChI InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKey SUNMBRGCANLOEG-UHFFFAOYSA-N
SMILES ClCC(=O)CCl
ChEBI Ontology
Outgoing 1,3-dichloroacetone (CHEBI:156485) has functional parent 1,3-dichloropropan-2-ol (CHEBI:18917)
1,3-dichloroacetone (CHEBI:156485) is a ketone (CHEBI:17087)
1,3-dichloroacetone (CHEBI:156485) is a organochlorine compound (CHEBI:36683)
IUPAC Name
1,3-dichloropropan-2-one
Synonyms Sources
1,3-dichloro-2-propanone NIST Chemistry WebBook
1,3-dichloroacetone NIST Chemistry WebBook
1,3-dichloropropanone ChemIDplus
α,α'-dichloroacetone NIST Chemistry WebBook
bis(chloromethyl) ketone NIST Chemistry WebBook
bis(chloromethyl)ketone ChemIDplus
sym-dichloroacetone NIST Chemistry WebBook
Manual Xref Database
CHM PDBeChem
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Registry Numbers Types Sources
534-07-6 CAS Registry Number ChemIDplus
534-07-6 CAS Registry Number NIST Chemistry WebBook
605456 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12470958 PubMed citation Europe PMC
18022565 PubMed citation SUBMITTER
26051979 PubMed citation Europe PMC
27477907 PubMed citation SUBMITTER
3004254 PubMed citation Europe PMC
30248496 PubMed citation Europe PMC
32039320 PubMed citation Europe PMC
Last Modified
17 September 2020