4-Fluorobenzenesulfonyl chloride

C₆H₄ClFO₂SCAS 349-88-2194.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄ClFO₂S
Molar mass: 194.60 g/mol
Exact mass: 193.9605 Da
Melting point: 30 °C
Boiling point: 89–89.5 °C (at 0.5 Torr)
logP: 1.75Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed36.2% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 105 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

349-88-2

SMILES

O=S(=O)(Cl)c1ccc(F)cc1

InChIKey

BFXHJFKKRGVUMU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzenesulfonyl chloride, 4-fluoro-
Benzenesulfonyl chloride, p-fluoro-
p-Fluorobenzenesulfonyl chloride
4-Fluorophenylsulfonyl chloride
p-Fluorophenylsulfonyl chloride
NSC 140128
4-Fluorobenzene-1-sulfonyl chloride

Work with 4-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

4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-488 % similar (1,1'-Biphenyl)-4,4'-disulfonyl dichloride3406-84-663 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-562 % similar 4-Chlorobenzenesulfonyl chloride98-60-258 % similar 4,4′-Difluorodiphenyl sulfone383-29-956 % similar Benzenesulfonyl chloride98-09-956 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-156 % similar 4-Bromobenzenesulfonyl chloride98-58-856 % similar

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

Same formula

2-Fluorobenzenesulfonyl chloride2905-21-7 3-Fluorobenzenesulfonyl chloride701-27-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook