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Definition A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine.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 No supplier information found for this compound.
Download Molfile XML SDF
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
Last Modified
20 May 2021