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108510

4-Bromobenzoic acid

Name: 4-Bromobenzoic acid
Brand: ALDRICH

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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Properties

Quality Level

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

Description

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

GHS07

signalword

Warning

hcodes

H302

pcodes

P264 - P270 - P301 + P312 - P501

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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Investigation of the metabolic fate of 2-, 3- and 4-bromobenzoic acids in bile-duct-cannulated rats by inductively coupled plasma mass spectrometry and high-performance liquid chromatography/inductively coupled plasma mass spectrometry/electrospray mass spectrometry.

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)

Tetragonal Cu2Se nanoflakes: synthesis using selenated propylamine as Se source and activation of Suzuki and Sonogashira cross coupling reactions.

Ved Vati Singh et al.

Dalton transactions (Cambridge, England : 2003), 44(2), 725-732 (2014-11-20)

The metastable tetragonal Cu2Se phase as nanoflakes has been synthesized for the first time by treating CuCl2 taken in a mixture (1:1) of 1-octadecene and oleylamine with H2N-(CH2)3-SePh dissolved in 1-octadecene. Powder X-ray diffraction (PXRD), HRTEM, SEM-EDX and XPS have

Global Trade Item Number

SKU	GTIN
108510-25G	04061838686152
108510-100G	04061832489070