2-Methyl-5-nitrobenzenesulfonyl chloride Chemical Properties

Melting point:

41-45 °C

Boiling point:

135-137 °C/0.7 mmHg

Density 

1.4103 (rough estimate)

refractive index 

1.6000 (estimate)

Flash point:

135-137°C/0.7mm

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

solubility 

soluble in Toluene

form 

powder to crystal

color 

White to Light yellow

Sensitive 

Moisture Sensitive

BRN 

2697079

InChI

1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3

InChIKey

WPGVQDHXOUAJBW-UHFFFAOYSA-N

SMILES

Cc1ccc(cc1S(Cl)(=O)=O)[N+]([O-])=O

CAS DataBase Reference

121-02-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

C

Risk Statements 

14-29-34

Safety Statements 

22-26-30-45-8-36/37/39

RIDADR 

3261

WGK Germany 

3

RTECS 

XT8000000

HazardClass 

8

PackingGroup 

II

HS Code 

29049090

Storage Class

8A - Combustible corrosive hazardous materials

Hazard Classifications

Skin Corr. 1B

MSDS

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2-Methyl-5-nitrobenzenesulfonyl chloride Usage And Synthesis

Uses

Intermediate in the preparation of PDE7 inhibitors and kinase inhibitors.

Synthesis

Add 6.90 g (0.05 mol) of p-nitrotoluene to a 100 mL three-necked flask, slowly add 17.5 g (0.15 mol) of chlorosulfonic acid dropwise with vigorous stirring, and after dropping, warm up the reaction to 65??C for 24 h. After the reaction, the reaction solution was slowly poured into 100 mL of iced water, and then extracted with dichloromethane (100 mL??2), and the organic layers were combined to obtain 2-methyl-5-nitrobenzenesulfonyl chloride. The organic layer was extracted with dichloromethane (100 mL??2).

2-Methyl-5-nitrobenzenesulfonyl chloride(121-02-8)Related Product Information

• Methyl salicylate
• 2-Nitrobenzenesulfenyl chloride
• 4-Chlorobenzenesulfonyl chloride
• 1-Phenyl-2-nitropropene
• Kresoxim-methyl
• Tribenuron methyl
• Pirimiphos-methyl
• 4-Nitrobenzenesulfonyl chloride
• 2-Methyl-5-nitrophenol
• Benzenesulfonyl chloride
• Methyl acetate
• N-Acetylsulfanilyl chloride
• METSULFURON METHYL
• Thiophanate-methyl
• Methyl
• nitrotoluene
• 3-Nitrobenzenesulfonyl chloride
• Methyl bromide