structure of (3,4-Dimethylphenyl)methanesulfonyl chloride

(3,4-Dimethylphenyl)methanesulfonyl chloride

CAS No.: 1000350-12-8
M. Wt: 218.70000
M. Fa: C9H11ClO2S
InChI Key: TZWXEACSEOFCPJ-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1000350-12-8

CAS Number

1000350-12-8

MDL Number

MFCD11052243

IUPAC Name

(3,4-dimethylphenyl)methanesulfonyl chloride

InChI

InChI=1S/C9H11ClO2S/c1-7-3-4-9(5-8(7)2)6-13(10,11)12/h3-5H,6H2,1-2H3

InChIKey

TZWXEACSEOFCPJ-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=C(C=C1)CS(=O)(=O)Cl)C

UNSPSC Code

12352100

Physical and chemical properties of 1000350-12-8

Exact Mass

218.01700

LogP

3.45280

Molecular Formula

C9H11ClO2S

Molecular Weight

218.70000

PSA

42.52000

Safety Information of 1000350-12-8

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000350-12-8

(3,4-Dimethylphenyl)methanesulfonyl chloride has various applications:

  • Pharmaceutical Intermediates: Used in the synthesis of active pharmaceutical ingredients.
  • Chemical Research: Acts as a reagent in organic synthesis for creating sulfonates and sulfonamides.
  • Agricultural Chemicals: Potentially utilized in the development of pesticides and herbicides due to its reactivity profile.

Interaction Studies of 1000350-12-8

Interaction studies involving (3,4-dimethylphenyl)methanesulfonyl chloride primarily focus on its reactivity with biological molecules and other chemical agents. Its ability to form covalent bonds with nucleophiles makes it a candidate for further research into drug design and enzyme inhibition mechanisms. Additionally, studies on its interactions with solvents and other reagents are crucial for understanding its behavior in synthetic pathways.

Physical sample testing spectrum (NMR) of 1000350-12-8

Physical sample testing spectrum (NMR) of 1000350-12-8