Benzenesulfonyl fluoride

C₆H₅FO₂SCAS 368-43-4160.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅FO₂S
Molar mass: 160.16 g/mol
Exact mass: 159.9994 Da
Density: 1.3286 g/mL (at 20 °C)
Boiling point: 203.5 °C
logP: 1.34Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H331 Toxic if inhaled87% of notifiers
H332 Harmful if inhaled10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

368-43-4

SMILES

O=S(=O)(F)c1ccccc1

InChIKey

IDIPWEYIBKUDNY-UHFFFAOYSA-N

InChI

InChI=1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

2 names

Phenylsulfonyl fluoride
NSC 8543

Work with Benzenesulfonyl fluoride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methylbenzenesulfonyl fluoride455-16-356 % similar Diphenyl sulfone127-63-950 % similar Phenylsulfur trifluoride672-36-650 % similar Pyridine-2-sulfonyl fluoride878376-35-346 % similar N-Fluorobenzenesulfonimide133745-75-244 % similar Difluoromethyl phenyl sulfone1535-65-544 % similar Fluoromethyl phenyl sulfone20808-12-244 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-444 % similar

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

Same formula

2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook