4-Bromoisophthalic acid Chemical Properties

Melting point:

297-299 °C(lit.)

Boiling point:

430.6±40.0 °C(Predicted)

Density 

1.8281 (rough estimate)

refractive index 

1.4490 (estimate)

storage temp. 

Store at room temperature

solubility 

soluble in Methanol

form 

Crystalline Powder and Chunks

pka

2.48±0.10(Predicted)

color 

White to off-white

BRN 

1959392

InChI

1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey

MSQIEZXCNYUWHN-UHFFFAOYSA-N

SMILES

OC(=O)c1ccc(Br)c(c1)C(O)=O

CAS DataBase Reference

6939-93-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26-37

WGK Germany 

3

HS Code 

29173990

Storage Class

13 - Non Combustible Solids

MSDS

• Language:English Provider:4-Bromoisophthalic acid
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-Bromoisophthalic acid Usage And Synthesis

Chemical Properties

white to off-white crystalline powder and chunks

Uses

4-Bromoisophthalic Acid is an inhibitor of glutamate decarboxylase.

Synthesis

A mixture of 4-bromo-m-xylene (25.3 g, 137 mmol), KMnO4 (100 g, 633 mmol) and water (1.5 L) was heated at reflux for 16 hours. The mixture was cooled to room temperature and diafiltered. The filtrate was extracted by adding 6 M HCl aqueous solution (100 mL) The filtrate was acidified and the white precipitate formed was separated by diafiltration and air dried to give 18.2 g of 4-bromo-1,3-benzenedicarboxylic acid, 54%. mp 286-290 ??C (lit. 26 ). mp = 287 ??C).

4-Bromoisophthalic acid(6939-93-1)Related Product Information

• Dimethyl isophthalate
• Dimethyl phthalate
• Diethyl phthalate
• Potassium hydrogen phthalate
• Phthalic acid
• Methyl 2-bromobenzoate
• 3-Bromoanisole
• 4-Bromobenzoic acid
• Isophthalic acid
• Bis(2-ethylhexyl) phthalate
• Diisobutyl phthalate
• 5-Aminoisophthalic acid
• DIALLYL ISOPHTHALATE
• Methyl 4-(bromomethyl)benzoate
• 3-(HYDROXYMETHYL)-BENZOIC ACID
• Benzoic acid
• 2-Bromobenzyl alcohol
• m-Phthalaldehyde