4-CHLORO-2,5-DIFLUOROBENZOIC ACID Chemical Properties

Melting point:

154-157 °C (lit.)

Boiling point:

258°C (rough estimate)

Density 

1.4821 (estimate)

storage temp. 

Sealed in dry,Room Temperature

pka

2.70±0.10(Predicted)

form 

Crystalline Powder

color 

Off-white

InChI

InChI=1S/C7H3ClF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)

InChIKey

PEPCYJSDHYMIFN-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC(F)=C(Cl)C=C1F

CAS DataBase Reference

132794-07-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29163990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

4-CHLORO-2,5-DIFLUOROBENZOIC ACID Usage And Synthesis

Application

4-Chloro-2,5-difluorobenzoic acid is a pharmaceutical intermediate that can be used to synthesize drugs that promote insulin secretion and inhibit the increase of blood glucose concentration. It can also be used to synthesize intermediates for protein kinase inhibitors and an isothiazole derivative, which is an intermediate for an anticancer drug.

Chemical Properties

OFF-WHITE CRYSTALLINE POWDER

General Description

4-Chloro-2,5-difluorobenzoic acid reacts with substituted 2-hydroxy acetophenones in the presence of POCl₃ to afford 2-acetylphenyl-4-chloro-2,5-difluorobenzoate.

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