2-Cyanobenzenesulphonyl chloride

C₇H₄ClNO₂SCAS 69360-26-5201.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄ClNO₂S
Molar mass: 201.62 g/mol
Exact mass: 200.9651 Da
logP: 1.49Crippen estimate
Polar surface area: 57.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed10.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

69360-26-5

SMILES

C1=CC=C(C(=C1)C#N)S(=O)(=O)Cl

InChIKey

NQAYCMBZPAARNO-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H

Weigh it out

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

Names and synonyms

1 names

2-Cyanobenzenesulfonyl chloride

Work with 2-Cyanobenzenesulphonyl 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 dichloride6461-76-362 % similar 2-Chlorobenzenesulfonyl chloride2905-23-952 % similar 2-Bromobenzenesulphonyl chloride2905-25-152 % similar 2-Methoxybenzenesulfonyl chloride10130-87-750 % similar 2-(Trifluoromethoxy)benzene-1-sulfonyl chloride103008-51-150 % similar 2-Methylbenzenesulfonyl chloride133-59-550 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-450 % similar 2-Fluorobenzenesulfonyl chloride2905-21-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Cyanobenzene-1-sulfonyl chloride56542-67-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook