3-Fluorobenzenesulfonyl chloride

C₆H₄ClFO₂SCAS 701-27-9194.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄ClFO₂S
Molar mass: 194.60 g/mol
Exact mass: 193.9605 Da
logP: 1.75Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed44% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage47.6% of notifiers

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

701-27-9

SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)F

InChIKey

OKYSUJVCDXZGKE-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H

Weigh it out

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

Work with 3-Fluorobenzenesulfonyl 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 dichloride585-47-772 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-567 % similar 3-Chlorobenzenesulfonyl chloride2888-06-462 % similar M-Toluenesulfonyl chloride1899-93-058 % similar 3-Bromobenzenesulfonyl chloride2905-24-058 % similar m-Trifluoromethylbenzenesulfonyl chloride777-44-658 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-056 % similar Benzenesulfonyl chloride98-09-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorobenzenesulfonyl chloride2905-21-7 4-Fluorobenzenesulfonyl chloride349-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook