Trimethylsilyl trifluoromethanesulfonate

C4H9F3O3SSiCAS 27607-77-8222.25 g/mol

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SiOSOOFFF
Alkyl halide

Properties

Molecular formula
C4H9F3O3SSi
Molar mass
222.25 g/mol
Exact mass
221.9994 Da
Density
1.23 g/mL
Melting point
below 25 °C
Boiling point
140 °C
logP
1.69Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
27607-77-8
SMILES
C[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChIKey
FTVLMFQEYACZNP-UHFFFAOYSA-N
InChI
InChI=1S/C4H9F3O3SSi/c1-12(2,3)10-11(8,9)4(5,6)7/h1-3H3

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Names and synonyms

9 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, trimethylsilyl ester
  • Methanesulfonic acid, trifluoro-, trimethylsilyl ester
  • Silanol, trimethyl-, trifluoromethanesulfonate
  • Trimethylsilyl trifluoromethylsulfonate
  • Trimethylsilyl triflate
  • Trimethylsilanol trifluoromethanesulfonate
  • Trifluoromethanesulfonic acid trimethylsilyl ester
  • Trimethylsilyl trfluoromethanesulfonate
  • TMSOTf

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 27607-77-8. Each row opens the sheet with its composition and PDF.

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Work with Trimethylsilyl trifluoromethanesulfonate

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

(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate69739-34-059 % similar Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-757 % similar Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-055 % similar Triisopropylsilyl trifluoromethanesulfonate80522-42-555 % similar Methyl trifluoromethanesulfonate333-27-750 % similar Trifluoromethanesulfonic anhydride358-23-650 % similar (Trimethylsilyl)methyl trifluoromethanesulfonate64035-64-950 % similar Ethyl trifluoromethanesulphonate425-75-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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