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 | GHS07 |
| 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 |


