(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate

C7H15F3O3SSiCAS 69739-34-0264.33 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
1.15 g/mL
Boiling point
65 °C (at 10 Torr)
logP
2.86Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
69739-34-0
SMILES
CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChIKey
WLLIXJBWWFGEHT-UHFFFAOYSA-N
InChI
InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3

Weigh it out

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

Names and synonyms

9 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester
  • Methanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester
  • tert-Butyldimethylsilyl triflate
  • tert-Butyldimethylsilyl trifluoromethanesulfonate
  • Trifluoromethanesulfonic acid (1,1-dimethylethyl)dimethylsilyl ester
  • Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester
  • (1,1-Dimethylethyl)dimethylsilyl trifluoromethanesulfonate
  • Dimethyl(2-methyl-2-propanyl)silyl trifluoromethanesulfonate
  • tert-Butyldimethylsilyl trifluoromethanesulphonate

Work with (1,1-Dimethylethyl)dimethylsilyl 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

Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-766 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-859 % similar tert-Butyl(diphenyl)silyl trifluoromethanesulphonate92886-86-750 % similar Triisopropylsilyl trifluoromethanesulfonate80522-42-548 % similar (Trimethylsilyl)methyl trifluoromethanesulfonate64035-64-944 % similar Methyl trifluoromethanesulfonate333-27-743 % similar Trifluoromethanesulfonic anhydride358-23-643 % similar Ethyl trifluoromethanesulphonate425-75-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook