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CHEBI:156485 - 1,3-dichloroacetone

ChEBI IDCHEBI:156485
ChEBI Name1,3-dichloroacetone
Stars
DefinitionA ketone that is propan-2-one in which a hydrogen at positions 1 and 3 have been replaced by chloro groups.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.
Secondary ChEBI IDCHEBI:47316
Last Modified17 September 2020
SubmitterMicheal Alexander
DownloadsMolfile
FormulaC3H4Cl2O
Net Charge0
Average Mass126.970
Monoisotopic Mass125.96392
SMILESO=C(CCl)CCl
InChIInChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKeySUNMBRGCANLOEG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
1,3-dichloro-2-propanoneNIST Chemistry WebBook
1,3-dichloroacetoneNIST Chemistry WebBook
1,3-dichloropropanoneChemIDplus
bis(chloromethyl) ketoneNIST Chemistry WebBook
bis(chloromethyl)ketoneChemIDplus
sym-dichloroacetoneNIST Chemistry WebBook
Manual XrefsDatabases
CHMPDBeChem
Registry NumbersSources
Reaxys:605456Reaxys
CAS:534-07-6NIST Chemistry WebBook
CAS:534-07-6ChemIDplus
Citations