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About This Item
Linear Formula:
BrC6H4CO2H
CAS Number:
Molecular Weight:
201.02
Beilstein/REAXYS Number:
1906923
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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
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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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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