All Photos(1)
Synonym(s):
3-Methylbenzenesulfonyl chloride
Linear Formula:
CH3C6H4SO2Cl
CAS Number:
Molecular Weight:
190.65
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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
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
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Skin Corr. 1B
WGK
WGK 3
Flash Point(F)
225.0 °F
Flash Point(C)
107.2 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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