lithium(1+) ion trifluoromethanesulfonate

• ChemBase ID: 98038
• Molecular Formular: CF3LiO3S
• Molecular Mass: 156.0101096
• Monoisotopic Mass: 155.96802907
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Li+]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.[Li+]
• InChI: InChI=1S/CHF3O3S.Li/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
• InChIKey: MCVFFRWZNYZUIJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion trifluoromethanesulfonate
• IUPAC Traditional name: lithium(1+) ion triflate; LithoTab triflate
• Synonyms: LiTf; Trifluoromethanesulfonic acid lithium salt; Lithium trifluoromethanesulfonate; Lithium triflate; Lithium trifluoromethanesulphonate 97%; 三氟甲基磺酸锂; 三氟甲烷磺酸 锂盐; 三氟甲磺酸锂; 三氟甲基磺酸锂

Database IDs

• CAS Number: 33454-82-9
• EC Number: 251-528-5
• MDL Number: MFCD00013227
• Beilstein Number: 4301818
• PubChem SID: 24871765; 24882259; 24857061; 162084504
• PubChem CID: 3664839

CALCULATED PROPERTIES

• Acid pKa: -3.4301212
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• Molar Refractivity: 15.8602 cm^3
• Polarizability: 7.460577 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; Powder
• Melting Point: >300 °C(lit.); 423°C; 423°C
• Flash Point: none°C
• Density: 1.900

Safety Information

• Storage Warning: Irritant/Hygroscopic/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%; 97%; 99.995% trace metals basis
• Grade: purum
• Linear Formula: CF3SO3Li

DETAILS

Sigma Aldrich - 282669

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 481548

Application
Used in the preparation of composite electrolytes for rechargeable Lithium batteries.1,2
Packaging
5, 25 g in poly bottle

REFERENCES

• Catalyzes the aminolysis of epoxides in acetonitrile solution to give high yields of ?-amino alcohols, providing a safer substitute for Li perchlorate: Tetrahedron Lett., 37, 7715 (1996). Effective replacement for Li perchlorate as catalyst for Diels-Alder reactions: Synlett, 877 (2000).
• Efficient catalyst for chemoselective dithioacetalization of aldehydes, e.g. with 1,3-propanedithiol, under neutral, solvent-free conditions: Tetrahedron Lett., 40, 4055 (1999).