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264660

Sigma-Aldrich

3-Bromo-4-methylbenzoic acid

technical grade, 85%

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About This Item

Linear Formula:
Br(CH3)C6H3COOH
CAS Number:
7697-26-9
Molecular Weight:
215.04
EC Number:
231-712-1
MDL number:
MFCD00002488
UNSPSC Code:
12352100
PubChem Substance ID:
24856028
NACRES:
NA.22

grade

technical grade

Assay

85%

form

solid

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

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which 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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
Synthesis of a 2-benzazepine analog of a potent, nonpeptide GPIIb/IIIa antagonist.
Miller WH, et al.
Tetrahedron Letters, 36(3), 373-376 (1995)
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

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