trifluoromethanesulfonyl fluoride

• ChemBase ID: 8640
• Molecular Formular: CF4O2S
• Molecular Mass: 152.0681128
• Monoisotopic Mass: 151.95551312
• SMILES: C(F)(S(=O)(=O)F)(F)F
• Canonical SMILES: FS(=O)(=O)C(F)(F)F
• InChI: InChI=1S/CF4O2S/c2-1(3,4)8(5,6)7
• InChIKey: SLVAEVYIJHDKRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoromethanesulfonyl fluoride
• IUPAC Traditional name: trifluoromethanesulfonyl fluoride
• Synonyms: Trifluoromethanesulphonyl fluoride 99%; Trifluoromethanesulfonyl fluoride

Database IDs

• CAS Number: 335-05-7
• MDL Number: MFCD00042402
• PubChem SID: 160971947
• PubChem CID: 67631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6258441
• LogD (pH = 7.4): 1.6258441
• Log P: 1.6258441
• Molar Refractivity: 15.9186 cm^3
• Polarizability: 7.074642 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -25°C
• Flash Point: none°C

Safety Information

• Storage Warning: GAS, TOXIC BY INHALATION
• TSCA Listed: true

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC7431

Cylinder - CGA110 connection