CHEBI:1395 - 3,5-dibromo-4-hydroxybenzoic acid

ChEBI IDCHEBI:1395
ChEBI Name3,5-dibromo-4-hydroxybenzoic acid
Stars
DefinitionA monohydroxybenzoic acid that is p-salicylic acid with bromo- substituents at C-3 and C-5 of the benzene ring.
Last Modified29 October 2014
DownloadsMolfile
FormulaC7H4Br2O3
Net Charge0
Average Mass295.914
Monoisotopic Mass293.85272
SMILESO=C(O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKeyPHWAJJWKNLWZGJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has functional parent 2,6-dibromophenol (CHEBI:19391)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has functional parent benzoic acid (CHEBI:30746)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has role marine xenobiotic metabolite (CHEBI:83399)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is a dibromobenzene (CHEBI:37147)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is a monohydroxybenzoic acid (CHEBI:25389)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is conjugate acid of 3,5-dibromo-4-hydroxybenzoate (CHEBI:27544)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is conjugate acid of 3,5-dibromo-4-oxidobenzoate(2−) (CHEBI:57274)
Incoming Relation(s)
3,5-dibromo-4-hydroxybenzoate (CHEBI:27544) is conjugate base of 3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395)
3,5-dibromo-4-oxidobenzoate(2−) (CHEBI:57274) is conjugate base of 3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395)
IUPAC Name 
3,5-dibromo-4-hydroxybenzoic acid
Synonyms  Source
bromoxynylbenzoic acidChemIDplus
DiBrHBzChEBI
3,5-dibromo-p-salicylic acidChEBI
3,5-Dibrom-4-hydroxy-benzösäureChEBI
acide dibromo-3,5 hydroxy-4-benzoiqueChEBI
Manual XrefsDatabases
C03925KEGG COMPOUND
Registry NumbersSources
Reaxys:2416147Reaxys
CAS:3337-62-0ChemIDplus
CAS:3337-62-0NIST Chemistry WebBook
Citations