Mesitylenesulfonyl chloride

C9H11ClO2SCAS 773-64-8218.69 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C9H11ClO2S
Molar mass
218.69 g/mol
Exact mass
218.0168 Da
Melting point
56 °C
logP
2.54Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
773-64-8
SMILES
Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1
InChIKey
PVJZBZSCGJAWNG-UHFFFAOYSA-N
InChI
InChI=1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3

Weigh it out

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Names and synonyms

7 names
  • Benzenesulfonyl chloride, 2,4,6-trimethyl-
  • 2-Mesitylenesulfonyl chloride
  • 2,4,6-Trimethylbenzenesulfonyl chloride
  • Mesitylsulfonyl chloride
  • 2,4,6-Trimethylphenylsulfonyl chloride
  • NSC 403295
  • 2,4,6-Trimethylbenzene-1-sulfonyl chloride

Work with Mesitylenesulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-059 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-958 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-357 % similar 2,4,6-Trimethylbenzenesulfonic acid3453-83-653 % similar 2,5-Dimethylbenzenesulfonyl chloride19040-62-153 % similar Sodium 2,4,6-trimethylbenzenesulfonate6148-75-050 % similar 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride80745-07-950 % similar Mesitylene-2-sulphonohydrazide16182-15-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-N-Propylbenzenesulfonyl chloride146949-07-7 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-9 4-Isopropylbenzenesulfonyl chloride54997-90-9

Elsewhere

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