3-(Chlorosulfonyl)benzoic acid Chemical Properties

Melting point:

128-130 °C(lit.)

Boiling point:

402.5±28.0 °C(Predicted)

Density 

1.591±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

3.00±0.10(Predicted)

color 

White to Brown

Sensitive 

Moisture Sensitive

BRN 

2645465

CAS DataBase Reference

4025-64-3(CAS DataBase Reference)

NIST Chemistry Reference

M-(chlorosulfonyl)benzoic acid(4025-64-3)

EPA Substance Registry System

Benzoic acid, 3-(chlorosulfonyl)- (4025-64-3)

Safety Information

Hazard Codes 

C

Risk Statements 

34-29-22

Safety Statements 

26-27-36/37/39-45

RIDADR 

UN 3261 8/PG 2

WGK Germany 

3

TSCA 

Yes

HazardClass 

8

PackingGroup 

II

HS Code 

29163990

MSDS

• Language:English Provider:3-(Chlorosulfonyl)benzoic acid
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3-(Chlorosulfonyl)benzoic acid Usage And Synthesis

Chemical Properties

white to light beige crystalline powder

General Description

3-(Chlorosulfonyl)benzoic acid is a sulfonyl halide. It participates in the synthesis of novel anthranilic acid class of PPARδ (Peroxisome proliferator-activated receptor δ) partial agonists.

Synthesis

1.22 g (10 mmol) of benzoic acid was accurately weighed into a 50 mL pear shaped flask and 10 mL of chlorosulfonic acid was slowly added. The reaction mixture was stirred at 100°C for 45 minutes. Upon completion of the reaction, the reaction solution was slowly added dropwise to ice brine followed by vacuum filtration. The resulting solid was washed with cold water and finally dried under vacuum to obtain 3-chlorosulfonylbenzoic acid in white solid form in 88.7% yield.

References

[1] Patent: CN105732444, 2016, A. Location in patent: Paragraph 0031; 0032; 0036; 0037; 0038
[2] Patent: WO2014/100833, 2014, A1. Location in patent: Paragraph 0076
[3] Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 961 - 965
[4] Patent: US2005/49307, 2005, A1. Location in patent: Page/Page column 5
[5] European Journal of Medicinal Chemistry, 2014, vol. 89, p. 503 - 523

3-(Chlorosulfonyl)benzoic acid(4025-64-3)Related Product Information

• 4-Aminobenzoic acid
• Benzoic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• 3-Nitrobenzoic acid
• Estradiol benzoate
• Folic acid
• 3-Hydroxybenzoic acid
• 4-Nitrobenzoic acid
• 3-Aminobenzoic acid
• 4-(Chloromethyl)benzoic acid
• m-Toluic acid
• Chlorosulfonyl isocyanate
• 3-Chloroperoxybenzoic acid
• Citric acid
• Ascoric Acid
• 2-Methoxy-5-(chlorosulfonyl)benzoic acid
• 4-CHLORO-3-CHLOROSULFONYLBENZOIC ACID
• 2-Hydroxy-5-(chlorosulfonyl)benzoic acid