methyldiphenylsilane

• ChemBase ID: 108172
• Molecular Formular: C13H14Si
• Molecular Mass: 198.33576
• Monoisotopic Mass: 198.08647698
• SMILES: C[SiH](c1ccccc1)c1ccccc1
• Canonical SMILES: C[SiH](c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
• InChIKey: FULSRCPEOUATID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyldiphenylsilane
• IUPAC Traditional name: methyldiphenylsilane
• Synonyms: Diphenylmethylsilane; Methyldiphenylsilane; DIPHENYLMETHYLSILANE; 二苯基甲基硅烷; 甲基二苯基硅烷; 二苯基甲基硅烷

Database IDs

• CAS Number: 776-76-1
• EC Number: 212-281-9
• MDL Number: MFCD00008255
• Beilstein Number: 1867183
• PubChem SID: 24855830; 162093912
• PubChem CID: 6327660

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1664
• LogD (pH = 7.4): 3.1664
• Log P: 3.1664
• Molar Refractivity: 57.2977 cm^3
• Polarizability: 24.786852 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 266-267°C; 93-94 °C/1 mmHg(lit.)
• Flash Point: 110 °C; 120°C(248°F); 230 °F
• Density: 0.995 g/mL at 25 °C(lit.); 1.001
• Refractive Index: 1.5720; n20/D 1.571(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是

Product Information

• Purity: ≥97%; 97%
• Linear Formula: (C6H5)2SiHCH3

DETAILS

MP Biomedicals - 05206335

MP Biomedicals Rare Chemical collection