3,4-Dimethylbenzenesulfonyl chloride

C8H9ClO2SCAS 2905-30-8204.67 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C8H9ClO2S
Molar mass
204.67 g/mol
Exact mass
204.0012 Da
Melting point
52 °C
Boiling point
160–162 °C (at 12 Torr)
logP
2.23Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 5 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
2905-30-8
SMILES
Cc1ccc(S(=O)(=O)Cl)cc1C
InChIKey
DNMQPRPJIWTNAX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Benzenesulfonyl chloride, 3,4-dimethyl-
  • 3,4-Xylenesulfonyl chloride
  • 4-(Chlorosulfonyl)-1,2-dimethylbenzene
  • 3,4-Dimethylbenzene-1-sulfonyl chloride
  • 3,4-Dimethylbenzenesulphonyl chloride

Work with 3,4-Dimethylbenzenesulfonyl 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-Chloro-p-toluenesulfochloride42413-03-670 % similar 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-168 % similar 4-Bromo-3-methylbenzene-1-sulfonyl chloride72256-93-068 % similar 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-268 % similar 4-Methyl-3-nitrobenzenesulfonyl chloride616-83-158 % similar 4-Toluenesulfonyl chloride98-59-955 % similar 1,3-Benzenedisulfonyl dichloride585-47-754 % similar M-Toluenesulfonyl chloride1899-93-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Ethylbenzene-1-sulfonyl chloride16712-69-9 2,5-Dimethylbenzenesulfonyl chloride19040-62-1 3,5-Dimethylbenzenesulfonyl chloride2905-27-3 P-(Methylsulfonyl)benzyl chloride40517-43-9 4-Methylbenzylsulfonyl chloride51419-59-1 2,4-Dimethylbenzenesulfonyl chloride609-60-9 ((2-Chloroethyl)sulphonyl)benzene938-09-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook