CHEBI:50099 - (4-chloro-2-methylphenoxy)acetic acid

ChEBI IDCHEBI:50099
ChEBI Name(4-chloro-2-methylphenoxy)acetic acid
Stars
DefinitionA chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2.
Last Modified18 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H9ClO3
Net Charge0
Average Mass200.621
Monoisotopic Mass200.02402
SMILESCc1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyWHKUVVPPKQRRBV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Application:
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
ChEBI Ontology
Outgoing Relation(s)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) has role environmental contaminant (CHEBI:78298)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) has role phenoxy herbicide (CHEBI:60575)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) has role synthetic auxin (CHEBI:26841)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) is a chlorophenoxyacetic acid (CHEBI:23152)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) is a monochlorobenzenes (CHEBI:83403)
(4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099) is conjugate acid of (4-chloro-2-methylphenoxy)acetate (CHEBI:231609)
Incoming Relation(s)
(4-chloro-2-methylphenoxy)acetate (CHEBI:231609) is conjugate base of (4-chloro-2-methylphenoxy)acetic acid (CHEBI:50099)
IUPAC Name 
(4-chloro-2-methylphenoxy)acetic acid
Synonyms  Source
2,4-MCPAChemIDplus
2-Methyl-4-chlorophenoxyacetic acidChemIDplus
MCPAChemIDplus
2-Methyl-4-chlorphenoxyessigsäureChemIDplus
((4-chloro-o-tolyl)oxy)acetic acidChemIDplus
[(4-Chloro-o-tolyl)oxy]acetic acidNIST Chemistry WebBook
Brand Name  Source
AgroxoneChemIDplus
Manual XrefsDatabases
GB573479Patent
GB573510Patent
US274810Patent
C18528KEGG COMPOUND
mcpaAlan Wood's Pesticides
MCPAWikipedia
427PPDB
Registry NumbersSources
Reaxys:2051752Reaxys
CAS:94-74-6ChemIDplus
CAS:94-74-6NIST Chemistry WebBook
CAS:94-74-6KEGG COMPOUND
Citations