1,1,1-trifluoroethane

• ChemBase ID: 99562
• Molecular Formular: C2H3F3
• Molecular Mass: 84.0404296
• Monoisotopic Mass: 84.01868476
• SMILES: FC(C)(F)F
• Canonical SMILES: CC(F)(F)F
• InChI: InChI=1S/C2H3F3/c1-2(3,4)5/h1H3
• InChIKey: UJPMYEOUBPIPHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoroethane
• IUPAC Traditional name: 1,1,1-trifluoroethane
• Synonyms: 1,1,1-Trifluoroethane (FC-143a) 99%; Methylfluoroform; 1,1,1-Trifluoroform; R-143m; HFC-143m; UN 2035; 1,1,1-Trifluoroethane

Database IDs

• CAS Number: 420-46-2
• EC Number: 206-996-5
• MDL Number: MFCD00013575
• PubChem SID: 162085825
• PubChem CID: 9868
• Chemspider ID: 9484
• Wikipedia Title: 1,1,1-Trifluoroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.455892
• LogD (pH = 7.4): 1.455892
• Log P: 1.455892
• Molar Refractivity: 11.7129 cm^3
• Polarizability: 4.2510605 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless gas
• Melting Point: -111 °C; -111°C
• Boiling Point: -47°C; -47.6 °C
• Density: 0.942; 3.7 kg/m^3 (gas)
• Vapor Pressure: 11 200 hPa (20 °C)

Safety Information

• Storage Warning: Flammable
• Risk Statements: R12
• Safety Statements: S9, S16, S33

DETAILS

Apollo Scientific Ltd - PC7298

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