2-Fluorobenzenesulfonyl chloride

C₆H₄ClFO₂SCAS 2905-21-7194.60 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 swallowed43.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage47.1% of notifiers

Aggregated from 85 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

2905-21-7

SMILES

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

InChIKey

ZSZKAQCISWFDCQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Fluorobenzenesulphonyl chloride

Work with 2-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

1,2-Benzenedisulfonyl dichloride6461-76-367 % similar 2,6-Difluorobenzenesulfonyl chloride60230-36-661 % similar 2-Fluorobenzenesulfonamide30058-40-359 % similar 2,4-Difluorobenzenesulfonyl chloride13918-92-858 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-558 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-056 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-156 % similar 2,4,5-Trifluorobenzenesulfonyl chloride220227-21-455 % similar

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

Same formula

4-Fluorobenzenesulfonyl chloride349-88-2 3-Fluorobenzenesulfonyl chloride701-27-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook