5-Bromo-2-methylbenzoic acid Chemical Properties

Melting point:

167-171°C

Boiling point:

319.4±30.0 °C(Predicted)

Density 

1.599±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

3.48±0.25(Predicted)

color 

White to Almost white

InChIKey

SEENCYZQHCUTSB-UHFFFAOYSA-N

CAS DataBase Reference

79669-49-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

22-36/37/38

Safety Statements 

26

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

HazardClass 

IRRITANT

PackingGroup 

Ⅲ

HS Code 

29163990

5-Bromo-2-methylbenzoic acid Usage And Synthesis

Chemical Properties

Off-white Powder.

Uses

2-Methyl-5-bromobenzoic acid is used in organic synthesis and pharmaceutical intermediates. It is used in the synthesis of 5-bromo-2-methyl-N-(quinolin-8-yl)benzamide, (5-Bromo-2-methylphenyl)(thiophen-2-yl)-methanone and 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene.

Synthesis

In a reaction vessel equipped with a mechanical stirrer, a solution of 2-methylbenzoic acid (10.00 g, 73.45 mmol, 1.0 equivalent) in concentrated sulfuric acid (15 mL) at room temperature, bromine (17.6 g, 110.14 mmol, 1. 5 equivalents) was added dropwise over 10 minutes and stirred at 25 ° C. for 20 hours. The reaction solution was injected into ice water (60 ml), and the precipitated solid was filtered, washed with water (20 mL), and air-dried at 60 ° C. overnight to obtain a bromo compound (15.2 g, 97%, addition rate: 95.7).5-Br body / 3-Br body = 62: 38). The obtained crude bromo compound (3 g) was dissolved in ethanol (9 mL) at 70 ° C., cooled to 20 ° C., and stirred at the same temperature for 30 minutes at 10 ° C. or lower for 3 hours. The precipitated crystals were filtered and air-dried at 60 ° C. overnight to obtain 5-Bromo-2-methylbenzoic acid(1.19 g, 5-Br / 3-Br = 91: 9, total yield: 38.5%).

5-Bromo-2-methylbenzoic acid(79669-49-1)Related Product Information

• o-Toluic acid
• 3-Bromoanisole
• m-Toluic acid
• Folic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• 4-Bromobenzoic acid
• Methyl 4-(bromomethyl)benzoate
• 3-(Trifluoromethyl)benzoic acid
• Methyl 2-bromobenzoate
• Methylparaben
• Paraquat dichloride
• Kresoxim-methyl
• p-Toluic acid
• Acetonitrile
• Methyl 4-methylbenzoate
• Methanol
• Methyl acrylate
• Methyl acetate