4-Methylbenzenesulfonyl fluoride

C7H7FO2SCAS 455-16-3174.19 g/mol

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Properties

Molecular formula
C7H7FO2S
Molar mass
174.19 g/mol
Exact mass
174.0151 Da
Density
1.23 g/mL
Melting point
41.5 °C
Boiling point
112 °C
logP
1.65Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 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, P405, P501

Identifiers

CAS number
455-16-3
SMILES
Cc1ccc(S(=O)(=O)F)cc1
InChIKey
IZZYABADQVQHLC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzenesulfonyl fluoride, 4-methyl-
  • p-Toluenesulfonyl fluoride
  • Tosyl fluoride
  • p-Methylbenzenesulfonyl fluoride
  • 4-Tolylsulfonyl fluoride
  • Toluene-4-sulfonyl fluoride
  • p-Methylphenylsulfonyl fluoride
  • 4-Methylphenylsulfonyl fluoride
  • NSC 2749
  • p-Tolylsulfonyl fluoride
  • 1-(Fluorosulfonyl)-4-methylbenzene

Work with 4-Methylbenzenesulfonyl 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

Benzenesulfonyl fluoride368-43-456 % similar Methyl p-tolyl sulfone3185-99-752 % similar p-Tolyl methyl sulfone59203-01-952 % similar p-Toluenesulfonic acid104-15-450 % similar p-Toluenesulfonic anhydride4124-41-850 % similar P-Toluenesulfonamide70-55-350 % similar 4-Toluenesulfonyl chloride98-59-950 % similar Sodium 4-methylbenzenesulfonate12068-03-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fluoromethyl phenyl sulfone20808-12-2 PMSF329-98-6 4-Fluorophenyl methyl sulfone455-15-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook