4-Fluorophenyl methyl sulfone

C7H7FO2SCAS 455-15-2174.19 g/mol

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SOOF
Aryl halideSulfone

Properties

Molecular formula
C7H7FO2S
Molar mass
174.19 g/mol
Exact mass
174.0151 Da
Melting point
77–78 °C
logP
1.23Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
455-15-2
SMILES
CS(=O)(=O)c1ccc(F)cc1
InChIKey
DPJHZJGAGIWXTD-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1-fluoro-4-(methylsulfonyl)-
  • Sulfone, p-fluorophenyl methyl
  • 1-Fluoro-4-(methylsulfonyl)benzene
  • 4-(Methylsulfonyl)fluorobenzene
  • Methyl 4-fluorophenyl sulfone
  • 1-Fluoro-4-methylsulfonylbenzene
  • p-Fluorophenyl methyl sulfone
  • 4-Methylsulfonyl-1-fluorobenzene
  • NSC 226256
  • 1-Fluoro-4-methanesulfonylbenzene
  • 4-Fluoro-1-(methylsulfonyl)benzene
  • 1-Fluoro-4-(methylsulphonyl)benzene

Work with 4-Fluorophenyl methyl sulfone

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

Methyl p-tolyl sulfone3185-99-758 % similar p-Tolyl methyl sulfone59203-01-958 % similar Methyl phenyl sulfone3112-85-456 % similar 4,4′-Difluorodiphenyl sulfone383-29-956 % similar 4-(Methylsulfonyl)phenol14763-60-156 % similar 1-Bromo-4-(methylsulphonyl)benzene3466-32-856 % similar 4-(Methylsulfonyl)aniline5470-49-556 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fluoromethyl phenyl sulfone20808-12-2 PMSF329-98-6 4-Methylbenzenesulfonyl fluoride455-16-3

Elsewhere

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