chempirical

3-Chloro-2-methylbenzenesulfonyl chloride

C7H6Cl2O2SCAS 80563-86-6225.08 g/mol

Open in Covalent MOL file
ClSOOCl
Aryl halide

Properties

Molecular formula
C7H6Cl2O2S
Molar mass
225.08 g/mol
Exact mass
223.9466 Da
Melting point
72 °C
logP
2.58Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
80563-86-6
SMILES
Cc1c(Cl)cccc1S(=O)(=O)Cl
InChIKey
ZSIYKAQPQRTBPF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3

Weigh it out

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Names and synonyms

5 names
  • Benzenesulfonyl chloride, 3-chloro-2-methyl-
  • o-Toluenesulfonyl chloride, 3-chloro-
  • 3-Chloro-2-methylbenzene-1-sulfonyl chloride
  • 3-Chloro-2-methylphenylsulfonyl chloride
  • 2-Methyl-3-chlorobenzenesulfonyl chloride

Work with 3-Chloro-2-methylbenzenesulfonyl 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-Chlorobenzenesulfonyl chloride2905-23-966 % similar 2,3-Dichlorobenzenesulfonyl chloride82417-45-661 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-058 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-455 % similar 1,2-Benzenedisulfonyl dichloride6461-76-354 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-453 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-053 % similar 2-Methylbenzenesulfonyl chloride133-59-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-p-toluenesulfochloride42413-03-6 (4-Chlorophenyl)methanesulfonyl chloride6966-45-6

Elsewhere

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