108510
4-Bromobenzoic acid
98%
Synonym(s):
p-Bromobenzoic acid
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About This Item
Linear Formula:
BrC6H4CO2H
CAS Number:
Molecular Weight:
201.02
Beilstein:
1906923
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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Berit Packert Jensen et al.
Rapid communications in mass spectrometry : RCM, 19(4), 519-524 (2005-01-25)
Inductively coupled plasma mass spectrometry (ICPMS) has been used to determine the rate and routes of excretion of bromine following the intraperitoneal administration (50 mg kg(-1)) of 2-, 3- and 4-bromobenzoic acids to male bile-duct-cannulated rats. Analysis of urine and
Quantification of the in vitro and in vivo metabolic fates of 2-, 3-and 4-bromobenzoic acids using high temperature LC coupled to ICP-MS and linear ion trap MS.
Smith CJ, et al.
Chromatographia, 67(9-10), 673-678 (2008)
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