2-Methylbenzenesulfonyl chloride

C₇H₇ClO₂SCAS 133-59-5190.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇ClO₂S
Molar mass: 190.64 g/mol
Exact mass: 189.9855 Da
Density: 1.3383 g/mL (at 20 °C)
Melting point: 10.2 °C
Boiling point: 154 °C (at 36 Torr)
logP: 1.92Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage76.9% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

133-59-5

SMILES

Cc1ccccc1S(=O)(=O)Cl

InChIKey

HDECRAPHCDXMIJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3

Weigh it out

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

Names and synonyms

9 names

Benzenesulfonyl chloride, 2-methyl-
o-Toluenesulfonyl chloride
o-Tosyl chloride
o-Tolylsulfonyl chloride
2-Methylphenylsulfonyl chloride
o-Methylbenzenesulfonyl chloride
2-Toluenesulfonyl chloride
NSC 9354
2-Methylbenzene-1-sulfonyl chloride

Work with 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

1,2-Benzenedisulfonyl dichloride6461-76-367 % similar 2-Iodobenzene-1-sulfonyl chloride63059-29-059 % similar 2,5-Dimethylbenzenesulfonyl chloride19040-62-158 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-958 % similar 2-Methanesulfonylbenzene-1-sulfonyl chloride89265-35-057 % similar 2-Chlorobenzenesulfonyl chloride2905-23-955 % similar 2-Bromobenzenesulphonyl chloride2905-25-155 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

M-Toluenesulfonyl chloride1899-93-0 Benzenemethanesulfonyl chloride1939-99-7 Ethyl 5-chlorothiophene-2-carboxylate5751-82-6 ((Chloromethyl)sulphonyl)benzene7205-98-3 1-Chloro-4-(methylsulfonyl)benzene98-57-7 4-Toluenesulfonyl chloride98-59-9

Elsewhere

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