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Merck
CN

566357

m-Toluenesulfonyl chloride

97%

Synonym(s):

3-Methylbenzenesulfonyl chloride

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About This Item

Linear Formula:
CH3C6H4SO2Cl
CAS Number:
1899-93-0
Molecular Weight:
190.65
NACRES:
NA.22
PubChem Substance ID:
24880292
UNSPSC Code:
12352100
MDL number:
MFCD00051747
Assay:
97%

Key Documents

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InChI

1S/C7H7ClO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3

SMILES string

Cc1cccc(c1)S(Cl)(=O)=O

InChI key

KFPMLWUKHQMEBU-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.5490 (lit.)

bp

252-253 °C (lit.)

density

1.314 g/mL at 25 °C (lit.)

Quality Level

200

Related Categories

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

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

225.0 °F - closed cup

flash_point_c

107.2 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN7419
BCCN0213
BCCM6168
BCCK3591
BCCG3107

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Rearrangements of sulfones to sulfinic acids via carbanion intermediates.
Truce WE and Brand WW
The Journal of Organic Chemistry, 35(6), 1828-1833 (1970)

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