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CHEBI:393747 - 3,4-dichlorophenoxyacetic acid

ChEBI IDCHEBI:393747
ChEBI Name3,4-dichlorophenoxyacetic acid
Stars
DefinitionA chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines.
Last Modified18 November 2019
DownloadsMolfile
FormulaC8H6Cl2O3
Net Charge0
Average Mass221.039
Monoisotopic Mass219.96940
SMILESO=C(O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeySNYRXHULAWEECU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
ChEBI Ontology
Outgoing Relation(s)
3,4-dichlorophenoxyacetic acid (CHEBI:393747) has role phenoxy herbicide (CHEBI:60575)
3,4-dichlorophenoxyacetic acid (CHEBI:393747) is a chlorophenoxyacetic acid (CHEBI:23152)
IUPAC Name 
(3,4-dichlorophenoxy)acetic acid
Synonym  Source
3,4-DAChemIDplus
Registry NumbersSources
Reaxys:1969638Reaxys
CAS:588-22-7ChemIDplus