methyl(3,3,3-trifluoropropyl)silanone

• ChemBase ID: 137927
• Molecular Formular: C4H7F3OSi
• Molecular Mass: 156.1784896
• Monoisotopic Mass: 156.02182604
• SMILES: C[Si](=O)CCC(F)(F)F
• Canonical SMILES: C[Si](=O)CCC(F)(F)F
• InChI: InChI=1S/C4H7F3OSi/c1-9(8)3-2-4(5,6)7/h2-3H2,1H3
• InChIKey: CUMCLKHSZZGALD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(3,3,3-trifluoropropyl)silanone
• IUPAC Traditional name: methyl(3,3,3-trifluoropropyl)silanone
• Synonyms: Poly[methyl(3,3,3-trifluoropropyl)]siloxane; Poly(methyl-3,3,3-trifluoropropylsiloxane), M.W. 2,400; Poly(methyl-3,3,3-trifluoropropylsiloxane), M.W. 14,000; Poly(methyl-3,3,3-trifluoropropylsiloxane), M.W. 4,600; Methyl(3,3,3-trifluoropropyl)cyclopolysiloxanes, mixture of tri- and tetra-; 聚(甲基-3,3,3-三氟丙基硅氧烷), M.W. 2,400; 聚(甲基-3,3,3-三氟丙基硅氧烷), M.W. 14,000; 聚(甲基-3,3,3-三氟丙基硅氧烷), M.W. 4600; (3,3,3-三氟丙基)环聚硅氧烷甲酯，三聚体和四聚体混合物

Database IDs

• CAS Number: 63148-56-1; 44839-32-9
• MDL Number: MFCD00241477; MFCD00197876
• PubChem SID: 162232187; 24864165
• PubChem CID: 4285173

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9277
• LogD (pH = 7.4): 0.9277
• Log P: 0.9277
• Molar Refractivity: 22.8772 cm^3
• Polarizability: 10.576805 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: 31-33 °C(lit.)
• Boiling Point: 95-134 °C/3 mmHg(lit.)
• Flash Point: 113 °C; 235 °F; 260°C(500°F); 290°C(554°F); 315°C(599°F)
• Density: 1.25; 1.264 g/mL at 25 °C(lit.); 1.28; 1.30
• Refractive Index: 1.381; 1.382; 1.383; n20/D 1.371(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%
• Linear Formula: [-Si(CH3)(CH2CH2CF3)O-]n, n = 3 or 4

DETAILS

Sigma Aldrich - 395447

Packaging
25 g in poly bottle