1,1,1-trifluoro-N-(6Li)lithio-N-trifluoromethanesulfonylmethanesulfonamide

• ChemBase ID: 136276
• Molecular Formular: C2F6LiNO4S2
• Molecular Mass: 286.161242
• Monoisotopic Mass: 285.9324166
• SMILES: [6Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Canonical SMILES: [6Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1/i;1-1
• InChIKey: QSZMZKBZAYQGRS-HCMAANCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-N-(^6Li)lithio-N-trifluoromethanesulfonylmethanesulfonamide
• IUPAC Traditional name: 1,1,1-trifluoro-N-(^6Li)lithio-N-trifluoromethanesulfonylmethanesulfonamide
• Synonyms: Bis(trifluoromethane)sulfonimide lithium-6Li salt; Bis(trifluoromethylsulfonyl)amine lithium-6Li salt; Lithium-6Li bistrifluoromethanesulfonimidate; 双(三氟甲基磺酰)胺; 双(三氟甲烷)磺酰亚胺

Database IDs

• MDL Number: MFCD20264871
• PubChem SID: 162230547
• PubChem CID: 71309701

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8436
• LogD (pH = 7.4): 2.8436
• Log P: 2.8436
• Molar Refractivity: 31.3346 cm^3
• Polarizability: 15.299877 Å^3
• Polar Surface Area: 71.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234-238 °C(lit.)
• Mass Shift: M-1

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 24/25-34-48/22-52/53
• Safety Statements: 22-26-36/37/39-45-61
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H373-H412
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P310

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 95 atom % 6Li
• Mol. Weight: mol wt 286.21 by atom % calculation
• Linear Formula: CF3SO2N6LiSO2CF3

DETAILS

Sigma Aldrich - 736562

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.