Methyl trifluoromethanesulfonate

C2H3F3O3SCAS 333-27-7164.10 g/mol

Open in Covalent MOL file
OSOOFFF
Alkyl halideSulfonate ester

Properties

Molecular formula
C2H3F3O3S
Molar mass
164.10 g/mol
Exact mass
163.9755 Da
Density
1.45 g/mL (at 20 °C)
Boiling point
99 °C
Flash point
38.3 °C
Water solubility
insoluble
logP
0.48Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 62 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
333-27-7
SMILES
COS(=O)(=O)C(F)(F)F
InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3

Weigh it out

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

Names and synonyms

5 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, methyl ester
  • Methanesulfonic acid, trifluoro-, methyl ester
  • Methyl triflate
  • Trifluoromethanesulfonic acid methyl ester
  • NSC 270679

Work with Methyl 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

Trifluoromethanesulfonic anhydride358-23-657 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-850 % similar Trifluoromethanesulfonic acid trifluoromethyl ester3582-05-650 % similar Ethyl trifluoromethanesulphonate425-75-250 % similar Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-746 % similar (Trimethylsilyl)methyl trifluoromethanesulfonate64035-64-945 % similar Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-045 % similar Triisopropylsilyl trifluoromethanesulfonate80522-42-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia