CHEBI:30748 - 2,4-dichlorobenzoic acid

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ChEBI Name 2,4-dichlorobenzoic acid
ChEBI ID CHEBI:30748
Definition A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19340, CHEBI:907
Supplier Information
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Formula C7H4Cl2O2
Net Charge 0
Average Mass 191.01086
Monoisotopic Mass 189.959
InChI InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey ATCRIUVQKHMXSH-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(Cl)cc1Cl
Metabolite of Species Details
Fischerella ambigua (NCBI:56108) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,4-dichlorobenzoic acid (CHEBI:30748) has functional parent benzoic acid (CHEBI:30746)
2,4-dichlorobenzoic acid (CHEBI:30748) has role bacterial metabolite (CHEBI:76969)
2,4-dichlorobenzoic acid (CHEBI:30748) is a chlorobenzoic acid (CHEBI:23134)
2,4-dichlorobenzoic acid (CHEBI:30748) is a dichlorobenzene (CHEBI:23697)
2,4-dichlorobenzoic acid (CHEBI:30748) is conjugate acid of 2,4-dichlorobenzoate (CHEBI:28995)
Incoming 1-(2,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole (CHEBI:75330) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748)
1-(2,4-dichlorobenzoyl)-1H-benzimidazole (CHEBI:75333) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748)
2,4-dichlorobenzoyl-CoA (CHEBI:15470) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748)
2,4-dichlorobenzoate (CHEBI:28995) is conjugate base of 2,4-dichlorobenzoic acid (CHEBI:30748)
IUPAC Name
2,4-dichlorobenzoic acid
Synonym Source
2,4-Dichlorobenzoic acid KEGG COMPOUND
Database Link Database
C06670 KEGG COMPOUND
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Registry Numbers Types Sources
1868192 Beilstein Registry Number Beilstein
1868192 Reaxys Registry Number Reaxys
50-84-0 CAS Registry Number KEGG COMPOUND
50-84-0 CAS Registry Number ChemIDplus
50-84-0 CAS Registry Number NIST Chemistry WebBook
562565 Gmelin Registry Number Gmelin
Citation Waiting for Citations Type Source
15787461 PubMed citation Europe PMC
Last Modified
22 October 2014