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264660

Sigma-Aldrich

3-Bromo-4-methylbenzoic acid

technical grade, 85%

Linear Formula:
Br(CH3)C6H3COOH
CAS Number:
Molecular Weight:
215.04
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

grade

technical grade

Quality Level

assay

85%

mp

200-202 °C (lit.)
200-204 °C

SMILES string

Cc1ccc(cc1Br)C(O)=O

InChI

1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)

InChI key

ZFJOMUKPDWNRFI-UHFFFAOYSA-N

Application

3-Bromo-4-methylbenzoic acid has been used in the synthesis of:
  • biphenyl amides
  • 2-benzazepine-4-acetic acid derivative, as an analog of the potent, nonpeptide GPIIb/IIIa antagonist
  • O-spiro C-aryl glucosides

Packaging

5, 25 g in glass bottle

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Certificate of Origin

Richard M Angell et al.
Bioorganic & medicinal chemistry letters, 18(1), 324-328 (2007-11-06)
The biphenyl amides are a novel series of p38 MAP kinase inhibitors. Structure-activity relationships of the series against p38alpha are discussed with reference to the X-ray crystal structure of an example. The series was optimised rapidly to a compound showing
Baihua Xu et al.
Bioorganic & medicinal chemistry letters, 19(19), 5632-5635 (2009-08-25)
Two series of O-spiro C-aryl glucosides were synthesized and tested for inhibition of hSGLT1 and hSGLT2. 6'-O-Spiro C-aryl glucosides exhibited potent in vitro hSGLT2 inhibitory activity but 2'-O-spiro C-aryl glucosides showed no in vitro hSGLT2 inhibitory activity at a screening
Wayne Huberty et al.
Journal of fluorescence, 26(2), 609-615 (2016-01-10)
A labeled green fluorescent polystyrene sulfonate (LNaPSS) has been synthesized using atom transfer radical polymerization of a styrene sulfonate monomer with a fluorescent co-monomer, fluorescein thiocyanate-vinyl aniline. As a result this 100 % sulfonated polymer contains no hydrophobic patches along
Synthesis of a 2-benzazepine analog of a potent, nonpeptide GPIIb/IIIa antagonist.
Miller WH, et al.
Tetrahedron Letters, 36(3), 373-376 (1995)

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