tert-Butyl(diphenyl)silyl trifluoromethanesulphonate

C₁₇H₁₉F₃O₃SSiCAS 92886-86-7388.48 g/mol

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Properties

Molecular formula: C₁₇H₁₉F₃O₃SSi
Molar mass: 388.48 g/mol
Exact mass: 388.0776 Da
logP: 3.41Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

92886-86-7

SMILES

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChIKey

AOMOJFWVOHXBTN-UHFFFAOYSA-N

InChI

InChI=1S/C17H19F3O3SSi/c1-16(2,3)25(14-10-6-4-7-11-14,15-12-8-5-9-13-15)23-24(21,22)17(18,19)20/h4-13H,1-3H3

Weigh it out

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Names and synonyms

1 names

tert-Butyldiphenylsilyl triflate)

Work with tert-Butyl(diphenyl)silyl trifluoromethanesulphonate

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-trifluoromethanesulfonate85272-31-753 % similar (1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate69739-34-050 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-843 % similar 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate88284-48-442 % similar Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-040 % similar Triisopropylsilyl trifluoromethanesulfonate80522-42-540 % similar (R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-739 % similar (S)-BINOL bis(triflate)128544-05-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook