CHEBI:142468 - 1,2-dichloropropane

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1,2-dichloropropane ChEBI ID CHEBI:142468 Definition A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C3H6Cl2 Net Charge 0 Average Mass 112.986 Monoisotopic Mass 111.98466 InChI InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3 InChIKey KNKRKFALVUDBJE-UHFFFAOYSA-N SMILES CC(CCl)Cl ChEBI Ontology Outgoing 1,2-dichloropropane (CHEBI:142468) is a chloroalkane (CHEBI:23128) 1,2-dichloropropane (CHEBI:142468) is a volatile organic compound (CHEBI:134179) Incoming (R)-1,2-dichloropropane (CHEBI:142469) is a 1,2-dichloropropane (CHEBI:142468) (S)-1,2-dichloropropane (CHEBI:142471) is a 1,2-dichloropropane (CHEBI:142468) Registry Number Type Source 1718880 Reaxys Registry Number Reaxys Last Modified 30 October 2018

General Comment 2018-10-29 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)- and (S)-1,2-dichloropropane] and for the racemate [rac-1,2-dichloropropane].