CHEBI:39411 - chloropropylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name chloropropylate
ChEBI ID CHEBI:39411
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H16Cl2O3
Net Charge 0
Average Mass 339.21254
Monoisotopic Mass 338.04765
InChI InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKey AXGUBXVWZBFQGA-UHFFFAOYSA-N
SMILES CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Roles Classification
Application(s): bridged diphenyl acaricide

acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
(via organochlorine acaricide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organochlorine pesticide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chloropropylate (CHEBI:39411) has functional parent 4,4'-dichlorobenzilic acid (CHEBI:39413)
chloropropylate (CHEBI:39411) has role bridged diphenyl acaricide (CHEBI:39412)
chloropropylate (CHEBI:39411) is a isopropyl ester (CHEBI:35725)
chloropropylate (CHEBI:39411) is a monochlorobenzenes (CHEBI:83403)
chloropropylate (CHEBI:39411) is a organochlorine acaricide (CHEBI:38657)
chloropropylate (CHEBI:39411) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
propan-2-yl bis(4-chlorophenyl)(hydroxy)acetate
Synonyms Sources
1-Methylethyl 4-chloro-α-(4-chlorophenyl)-α-hydroxybenzeneacetate NIST Chemistry WebBook
Isopropyl 4,4'-dichlorobenzilate ChemIDplus
Manual Xrefs Databases
149 PPDB
C19027 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2757308 Beilstein Registry Number ChemIDplus
5836-10-2 CAS Registry Number KEGG COMPOUND
5836-10-2 CAS Registry Number NIST Chemistry WebBook
5836-10-2 CAS Registry Number ChemIDplus
Last Modified
09 March 2018