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108510

4-Bromobenzoic acid

98%

Synonym(s):

p-Bromobenzoic acid

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About This Item

Linear Formula:
BrC6H4CO2H
CAS Number:
586-76-5
Molecular Weight:
201.02
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846809
EC Number:
209-581-7
Beilstein/REAXYS Number:
1906923
MDL number:
MFCD00002529
Assay:
98%
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Quality Segment

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

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.

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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