4-Bromobenzoic acid
ALDRICH/108510 - 98%
Synonym: p-Bromobenzoic acid
CAS Number: 586-76-5
Empirical Formula (Hill Notation): C7H5BrO2
Molecular Weight: 201.02
EC Number: 209-581-7
MDL Number: MFCD00002529
Linear Formula: BrC6H4CO2H
Product Type: Chemical
assay | 98% |
functional group | bromo |
carboxylic acid | |
InChI | 1S/C7H5BrO2/c8-6-3-1-5(2- |
InChI key | TUXYZHVUPGXXQG-UHFFFAOYSA |
mp | 252-254 °C (lit.) |
Quality Level | 100 ![]() |
SMILES string | OC(=O)c1ccc(Br)cc1 |
solubility | alcohol: slightly soluble |
diethyl ether: slightly soluble | |
ethanol: soluble 5% | |
H2O: slightly soluble (hot) |
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. |
Packaging: | 25, 100 g in poly bottle |
Symbol | ![]() |
Signal word | Warning |
Hazard statements | H302-H315-H319-H335 |
Precautionary statements | P261-P305 + P351 + P338 |
Hazard Codes | Xn |
Risk Statements | 22-36/37/38 |
Safety Statements | 26-36 |
RIDADR | NONH for all modes of transport |
WGK Germany | 3 |
Purity | 98% |
mp | 252-254 °C (lit.) |
UNSPSC | 12352100 |