566357

m-Toluenesulfonyl chloride

97%

• Synonym(s): 3-Methylbenzenesulfonyl chloride
• Linear Formula: CH₃C₆H₄SO₂Cl
• CAS Number: 1899-93-0
• Molecular Weight: 190.65
• MDL number: MFCD00051747
• UNSPSC Code: 12352100
• PubChem Substance ID: 24880292
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.5490 (lit.)
• bp: 252-253 °C (lit.)
• density: 1.314 g/mL at 25 °C (lit.)
• SMILES string: Cc1cccc(c1)S(Cl)(=O)=O
• InChI: 1S/C7H7ClO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3
• InChI key: KFPMLWUKHQMEBU-UHFFFAOYSA-N

Description

General description

m-Toluenesulfonyl chloride can be synthesized via chlorination of m-thiocresol in glacial acetic acid.

Application

m-Toluenesulfonyl chloride may be used in the synthesis of mesityl-m-tolyl sulfone via reaction with mesitylene.

Reactant involved in they synthesis of biologically active molecules including:

• Small molecule ligands for the Stat3 SH2 domain
• Isoindoline-5-propenehydroxamates for use as histone deactylase inhibitors
• Phenyl-pyrazolylamine-based derivatives as FLT3 kinase inhibitors
• Aryldisulfonamides with antibacterial activity
• Quinazoline analogs for the treatment of Gaucher disease
• 17β-HSD2 inhibitors for the treatment of osteoporosis

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314
• Precautionary Statements: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 225.0 °F - closed cup
• Flash Point(C): 107.2 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves