108510

4-Bromobenzoic acid

98%

• Synonym(s): p-Bromobenzoic acid
• Linear Formula: BrC₆H₄CO₂H
• CAS Number: 586-76-5
• Molecular Weight: 201.02
• Beilstein: 1906923
• EC Number: 209-581-7
• MDL number: MFCD00002529
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846809
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• mp: 252-254 °C (lit.)
• solubility: ethanol: soluble 5%; H₂O: slightly soluble (hot); alcohol: slightly soluble; diethyl ether: slightly soluble
• functional group: bromo; carboxylic acid
• SMILES string: OC(=O)c1ccc(Br)cc1
• InChI: 1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
• InChI key: TUXYZHVUPGXXQG-UHFFFAOYSA-N

Description

Application

4-Bromobenzoic acid was used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography. It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves