CHEBI:73173 - 2,4-DB

ChEBI IDCHEBI:73173
ChEBI Name2,4-DB
Stars
DefinitionA monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide.
Secondary ChEBI IDCHEBI:34376
Last Modified18 November 2019
SubmitterJohnny Lloyd
DownloadsMolfile
FormulaC10H10Cl2O3
Net Charge0
Average Mass249.093
Monoisotopic Mass248.00070
SMILESO=C(O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyYIVXMZJTEQBPQO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
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.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
ChEBI Ontology
Outgoing Relation(s)
2,4-DB (CHEBI:73173) has role agrochemical (CHEBI:33286)
2,4-DB (CHEBI:73173) has role phenoxy herbicide (CHEBI:60575)
2,4-DB (CHEBI:73173) has role synthetic auxin (CHEBI:26841)
2,4-DB (CHEBI:73173) is a aromatic ether (CHEBI:35618)
2,4-DB (CHEBI:73173) is a monocarboxylic acid (CHEBI:25384)
2,4-DB (CHEBI:73173) is a organochlorine compound (CHEBI:36683)
2,4-DB (CHEBI:73173) is conjugate acid of 4-(2,4-dichlorophenoxy)butanoate (CHEBI:143277)
Incoming Relation(s)
N2-[4-(2,4-dichlorophenoxy)butanoyl]-L-glutamine (CHEBI:144862) has functional parent 2,4-DB (CHEBI:73173)
4-(2,4-dichlorophenoxy)butanoate (CHEBI:143277) is conjugate base of 2,4-DB (CHEBI:73173)
IUPAC Name 
4-(2,4-dichlorophenoxy)butanoic acid
Synonyms  Source
4-(2,4-Dichlorophenoxy)butyric acidKEGG COMPOUND
2,4-D butyric acidChemIDplus
γ-(2,4-dichlorophenoxy)-butyric acidChEBI
γ-(2,4-dichlorophenoxy)butanoic acidChEBI
γ-(2,4-dichlorophenoxy)butyric acidNIST Chemistry WebBook
γ-(2,4-dichlorophenoxy)-butanoic acidChEBI
Brand Names  Source
LegumexChemIDplus
EmbutoxChEBI
ButoxoneChemIDplus
ButyracChemIDplus
Manual XrefsDatabases
C14404KEGG COMPOUND
GB804565Patent
GB883255Patent
2,4-dbAlan Wood's Pesticides
2,4-DBWikipedia
5PPDB
Registry NumbersSources
Reaxys:1976809Reaxys
CAS:94-82-6KEGG COMPOUND
CAS:94-82-6ChemIDplus
CAS:94-82-6NIST Chemistry WebBook