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2-Methyl-5-nitrobenzenesulfonyl chloride

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2-Methyl-5-nitrobenzenesulfonyl chloride Basic information
Product Name:2-Methyl-5-nitrobenzenesulfonyl chloride
Synonyms:4-nitrotoluen-2-sulfochlorid;4-nitrotoluen-2-sulfonylchlorid;5-nitro-o-toluenesulfonylchlorid;5-NITRO-O-TOLUENESULFONYL CHLORIDE;2-METHYL-5-NITROBENZENE-1-SULFONYL CHLORIDE;2-METHYL-5-NITROBENZENESULFONYL CHLORIDE;2-METHYL-5-NITROBENZENESULPHONYL CHLORIDE;2-METHYL-5-NITROPHENYLSULFONYL CHLORIDE
CAS:121-02-8
MF:C7H6ClNO4S
MW:235.64
EINECS:204-444-8
Product Categories:Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds;Aromatics;Intermediates;Sulfur & Selenium Compounds;Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds
Mol File:121-02-8.mol
2-Methyl-5-nitrobenzenesulfonyl chloride Structure
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)
Fp 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
InChI1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3
InChIKeyWPGVQDHXOUAJBW-UHFFFAOYSA-N
SMILESCc1ccc(cc1S(Cl)(=O)=O)[N+]([O-])=O
CAS DataBase Reference121-02-8(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 Class8A - Combustible corrosive hazardous materials
Hazard ClassificationsSkin Corr. 1B
MSDS Information
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2-Methyl-5-nitrobenzenesulfonyl chloride English
ALFA English
2-Methyl-5-nitrobenzenesulfonyl chloride Usage And Synthesis
UsesIntermediate in the preparation of PDE7 inhibitors and kinase inhibitors.
SynthesisAdd 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 65C for 24 h. After the reaction, the reaction solution was slowly poured into 100 mL of iced water, and then extracted with dichloromethane (100 mL2), and the organic layers were combined to obtain 2-methyl-5-nitrobenzenesulfonyl chloride. The organic layer was extracted with dichloromethane (100 mL2).
2-Methyl-5-nitrobenzenesulfonyl chloride Preparation Products And Raw materials
Raw materialsBenzenesulfonyl fluoride, 2-methyl-5-nitro--->Carbon disulfide-->2-Methyl-5-nitroaniline-->Aluminum chloride-->4-Nitrotoluene
Preparation Products6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide-->4-Nitrotoluene-2-sulfonic Acid
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