CHEBI:137978 - 1,3-dichloropropane

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ChEBI Name 1,3-dichloropropane
ChEBI ID CHEBI:137978
Definition A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C3H6Cl2
Net Charge 0
Average Mass 112.986
Monoisotopic Mass 111.98466
InChI InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKey YHRUOJUYPBUZOS-UHFFFAOYSA-N
SMILES ClCCCCl
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Application(s): nematicide
A substance used to destroy pests of the phylum Nematoda (roundworms).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,3-DCP ChEBI
1,3-dichloropropane UniProt
CH2ClCH2CH2Cl ChEBI
Cl(CH2)3Cl ChEBI
ClCH2CH2CH2Cl ChEBI
trimethylene dichloride ChemIDplus
Manual Xref Database
EP1067105 Patent
View more database links
Registry Numbers Types Sources
142-28-9 CAS Registry Number NIST Chemistry WebBook
142-28-9 CAS Registry Number ChemIDplus
505960 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14709629 PubMed citation Europe PMC
28416262 PubMed citation Europe PMC
9008720 PubMed citation Europe PMC
IND23328194 Agricola citation Europe PMC
Last Modified
20 May 2021