chempirical

M-Toluenesulfonyl chloride

C7H7ClO2SCAS 1899-93-0190.64 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C7H7ClO2S
Molar mass
190.64 g/mol
Exact mass
189.9855 Da
logP
1.92Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 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
1899-93-0
SMILES
CC1=CC(=CC=C1)S(=O)(=O)Cl
InChIKey
KFPMLWUKHQMEBU-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3

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Names and synonyms

1 names
  • 3-Methylbenzenesulphonyl chloride

Work with M-Toluenesulfonyl 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

1,3-Benzenedisulfonyl dichloride585-47-769 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-364 % similar 3-Methoxybenzenesulfonyl chloride10130-74-261 % similar 3-Chlorobenzenesulfonyl chloride2888-06-460 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-059 % similar Benzenesulfonyl chloride98-09-959 % similar 3-Fluorobenzenesulfonyl chloride701-27-958 % similar 3-Bromobenzenesulfonyl chloride2905-24-056 % similar

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

Same formula

2-Methylbenzenesulfonyl chloride133-59-5 Benzenemethanesulfonyl chloride1939-99-7 Ethyl 5-chlorothiophene-2-carboxylate5751-82-6 [(Chloromethyl)sulfonyl]benzene7205-98-3 1-Chloro-4-(methylsulfonyl)benzene98-57-7 4-Toluenesulfonyl chloride98-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook