1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene

C9H11ClO2SCAS 22381-53-9218.69 g/mol

Open in Covalent MOL file
SOOCl
Alkyl halideSulfone

Properties

Molecular formula
C9H11ClO2S
Molar mass
218.69 g/mol
Exact mass
218.0168 Da
Melting point
22.5 °C
Boiling point
140 °C (at 1.5 Torr)
logP
2.01Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
22381-53-9
SMILES
Cc1ccc(S(=O)(=O)CCCl)cc1
InChIKey
KUAGAJLNIOIGRN-UHFFFAOYSA-N
InChI
InChI=1S/C9H11ClO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,6-7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzene, 1-[(2-chloroethyl)sulfonyl]-4-methyl-
  • Sulfone, 2-chloroethyl p-tolyl
  • p-Toluene 2-chloroethyl sulphone
  • 1-Tosyl-2-chloroethane
  • NSC 9012
  • 1-(2-Chloroethanesulfonyl)-4-methylbenzene

Work with 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene

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-Chloroethyl)sulphonyl)benzene938-09-063 % similar 2-[(4-Methylphenyl)sulfonyl]ethanol22381-54-063 % similar 2-Chloroethyl 4-fluorophenyl sulfone33330-46-063 % similar N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide42137-88-253 % similar 2-Chloroethyl p-toluenesulfonate80-41-153 % similar TOSMIC36635-61-751 % similar 2-[(4-Methylphenyl)sulfonyl]acetonitrile5697-44-951 % similar (p-Tolylsulphonyl)acetone5366-49-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-N-Propylbenzenesulfonyl chloride146949-07-7 4-Isopropylbenzenesulfonyl chloride54997-90-9 Mesitylenesulfonyl chloride773-64-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook