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CHEBI:137978 - 1,3-dichloropropane

ChEBI IDCHEBI:137978
ChEBI Name1,3-dichloropropane
Stars
DefinitionA chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine.
Last Modified20 May 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC3H6Cl2
Net Charge0
Average Mass112.987
Monoisotopic Mass111.98466
SMILESClCCCCl
InChIInChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKeyYHRUOJUYPBUZOS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Application:
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
ChEBI Ontology
Outgoing Relation(s)
1,3-dichloropropane (CHEBI:137978) has role environmental contaminant (CHEBI:78298)
1,3-dichloropropane (CHEBI:137978) has role nematicide (CHEBI:25491)
1,3-dichloropropane (CHEBI:137978) is a chloroalkane (CHEBI:23128)
1,3-dichloropropane (CHEBI:137978) is a chlorohydrocarbon (CHEBI:23115)
IUPAC Name 
1,3-dichloropropane
Synonyms  Source
1,3-DCPChEBI
CH2ClCH2CH2ClChEBI
ClCH2CH2CH2ClChEBI
Cl(CH2)3ClChEBI
trimethylene dichlorideChemIDplus
UniProt Name  Source
1,3-dichloropropaneUniProt
Manual XrefsDatabases
EP1067105Patent
Registry NumbersSources
Reaxys:505960Reaxys
CAS:142-28-9NIST Chemistry WebBook
CAS:142-28-9ChemIDplus
Citations