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4-Bromobenzoic acid, 97%

Catalog No. AAA1251814
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100 g
25 g
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Catalog No. Quantity
AAA1251814 25 g
AAA1251822 100 g
AAA1251836 500 g
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Catalog No. AAA1251814

Supplier: Thermo Scientific Chemicals A1251814

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CAS: 586-76-5 | C7H5BrO2 | 201.02 g/mol

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. It is also used as an intermediate for the synthesis of agrochemicals, pharmaceutical, chemical intermediates and liquid crystals.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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. It is also used as an intermediate for the synthesis of agrochemicals, pharmaceutical, chemical intermediates and liquid crystals.

Solubility
Slightly soluble in hot water. Soluble in alcohol and ether.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.

Chemical Identifiers

CAS 586-76-5
Molecular Formula C7H5BrO2
Molecular Weight (g/mol) 201.02
MDL Number MFCD00002529
InChI Key TUXYZHVUPGXXQG-UHFFFAOYSA-N
Synonym p-bromobenzoic acid, benzoic acid, 4-bromo, p-carboxybromobenzene, benzoic acid, p-bromo, p-bromobenzenecarboxylic acid, 4-bromo-benzoic acid, 4-brom-benzoesaeure, 4-carboxybromobenzene, para bromo benzoic acid, 4bromo-benzoic acid
PubChem CID 11464
ChEBI CHEBI:60698
IUPAC Name 4-bromobenzoic acid
SMILES OC(=O)C1=CC=C(Br)C=C1

Specifications

Melting Point 253°C to 258°C
Density 1.894
Odor Odorless
Quantity 25 g
Beilstein 1906923
Merck Index 14,1408
Solubility Information Slightly soluble in hot water. Soluble in alcohol and ether.
Formula Weight 201.02
Percent Purity ≥98%
Chemical Name or Material 4-Bromobenzoic acid
Hazard Category H315-H319-H335
Hazard Statement GHS H Statement
H302-H315-H319-H335
Harmful if swallowed.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary Statement P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber 209-581-7
RTECSNumber DG4448050
TSCA Yes
Recommended Storage Ambient temperatures

RUO – Research Use Only