CHEBI:166846 - 3,5-dichlorobenzoic acid

ChEBI IDCHEBI:166846
ChEBI Name3,5-dichlorobenzoic acid
Stars
DefinitionA chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups.
Last Modified13 November 2020
Submittereladnoor
DownloadsMolfile
FormulaC7H4Cl2O2
Net Charge0
Average Mass191.013
Monoisotopic Mass189.95883
SMILESO=C(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKeyCXKCZFDUOYMOOP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
3,5-dichlorobenzoic acid (CHEBI:166846) has functional parent benzoic acid (CHEBI:30746)
3,5-dichlorobenzoic acid (CHEBI:166846) has role herbicide (CHEBI:24527)
3,5-dichlorobenzoic acid (CHEBI:166846) has role metabolite (CHEBI:25212)
3,5-dichlorobenzoic acid (CHEBI:166846) is a chlorobenzoic acid (CHEBI:23134)
3,5-dichlorobenzoic acid (CHEBI:166846) is a dichlorobenzene (CHEBI:23697)
3,5-dichlorobenzoic acid (CHEBI:166846) is conjugate acid of 3,5-dichlorobenzoate (CHEBI:166847)
Incoming Relation(s)
3,5-dichlorobenzoate (CHEBI:166847) is conjugate base of 3,5-dichlorobenzoic acid (CHEBI:166846)
IUPAC Name 
3,5-dichlorobenzoic acid
Synonyms  Source
benzoic acid, 3,5-dichloro-ChemIDplus
3,5-dichloro-benzoic acidSUBMITTER
Manual XrefsDatabases
5606ChemSpider
Registry NumbersSources
Reaxys:2044776Reaxys
CAS:51-36-5ChemIDplus
CAS:51-36-5NIST Chemistry WebBook
Citations