CAS 586-76-5 p-Bromobenzoic Acid - Materials / Alfa Chemistry

NAVIGATION

p-Bromobenzoic Acid

PRICE INQUIRY

Catalog Number

ACM586765-1

CAS Number

586-76-5

Product Name

p-Bromobenzoic Acid

Category

Liquid Crystal (LC) Building Blocks

Description

4-bromobenzoic acid appears as colorless to red crystals. (NTP, 1992)

IUPAC Name

4-bromobenzoic acid

Molecular Weight

201.02g/mol

Molecular Formula

C7H5BrO2

Canonical SMILES

C1=CC(=CC=C1C(=O)O)Br

InChI

InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChI Key

TUXYZHVUPGXXQG-UHFFFAOYSA-N

Melting Point

473.9 °F (NTP, 1992);254.5 °C

Solubility

2.98e-04 M

Application

p-Bromobenzoic Acid is a white to light yellow crystalline powder primarily used to investigate the metabolic pathways of bromo-substituted benzoic acids in biological systems, such as in the incubation experiments with rat hepatocytes analyzed using high-temperature liquid chromatography. This compound is also utilized in the bromine-specific detection of metabolites in rat urine and bile, employing inductively coupled plasma mass spectrometry. Furthermore, it serves as an important intermediate in the synthesis of agrochemicals, pharmaceuticals, chemical intermediates, and liquid crystals. As a bromobenzoic acid, p-Bromobenzoic Acid features a bromo substituent at the 4-position, denoting its specific structural configuration.

Complexity

128

Covalently-Bonded Unit Count

EC Number

209-581-7

Exact Mass

199.94729g/mol

Formal Charge

Heavy Atom Count

Log P

2.86 (LogP)

Monoisotopic Mass