4-Bromo-2-methylbenzoic acid Chemical Properties

Melting point:

180-184 °C

Boiling point:

310.1±30.0 °C(Predicted)

Density 

1.599±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

3.63±0.25(Predicted)

form 

powder to crystal

color 

White to Almost white

Water Solubility 

Insoluble in water.

BRN 

2249816

InChI

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

InChIKey

RVCJOGNLYVNRDN-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

68837-59-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-36/37/38

Safety Statements 

26-36/37/39-36

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

Hazard Note 

Harmful

HazardClass 

IRRITANT

PackingGroup 

Ⅲ

HS Code 

29163990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-Bromo-2-methylbenzoic acid Usage And Synthesis

Chemical Properties

White to brown crystal powde

Uses

A building block which is used in preparation of anthranilic acids possessing antibacterial activity. 4-bromo-2-methylbenzoic acid could be used to synthesis 4-chloro-3'-(2-cyclopentyl-1-oxoisoindolin-5-yl)biphenyl-3-carboxylic acid through Suzuki couplings[1].

References

[1] Shyama Sidique. “Orally Active Metabotropic Glutamate Subtype 2 Receptor Positive Allosteric Modulators: Structure–Activity Relationships and Assessment in a Rat Model of Nicotine Dependence.” Journal of Medicinal Chemistry 55 22 (2012): 9434–9445.

4-Bromo-2-methylbenzoic acid(68837-59-2)Related Product Information

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