Triethylsilyl 1,1,1-trifluoromethanesulfonate

C7H15F3O3SSiCAS 79271-56-0264.33 g/mol

Open in Covalent MOL file
SiOSOOFFF
Alkyl halide

Properties

Molecular formula
C7H15F3O3SSi
Molar mass
264.33 g/mol
Exact mass
264.0463 Da
Density
1.17 g/mL
Boiling point
85–86 °C (at 12 Torr)
logP
2.86Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
79271-56-0
SMILES
CC[Si](CC)(CC)OS(=O)(=O)C(F)(F)F
InChIKey
STMPXDBGVJZCEX-UHFFFAOYSA-N
InChI
InChI=1S/C7H15F3O3SSi/c1-4-15(5-2,6-3)13-14(11,12)7(8,9)10/h4-6H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, triethylsilyl ester
  • Methanesulfonic acid, trifluoro-, triethylsilyl ester
  • Triethylsilyl triflate
  • Triethylsilyl trifluoromethanesulfonate
  • Trifluoromethanesulfonic acid triethylsilyl ester
  • Triethylsilyl trifluoromethanesulphonate

Work with Triethylsilyl 1,1,1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimethylsilyl trifluoromethanesulfonate27607-77-855 % similar Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-752 % similar Ethyl trifluoromethanesulphonate425-75-250 % similar Triisopropylsilyl trifluoromethanesulfonate80522-42-550 % similar (Trimethylsilyl)methyl trifluoromethanesulfonate64035-64-945 % similar Methyl trifluoromethanesulfonate333-27-745 % similar Trifluoromethanesulfonic anhydride358-23-644 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate69739-34-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook