tribenzylsilane

• ChemBase ID: 138079
• Molecular Formular: C21H22Si
• Molecular Mass: 302.48488
• Monoisotopic Mass: 302.14907724
• SMILES: c1ccc(cc1)C[SiH](Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)C[SiH](Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H22Si/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2
• InChIKey: CLBRRQXSGPYXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tribenzylsilane
• IUPAC Traditional name: tribenzylsilane
• Synonyms: Tribenzylsilane; 三苄基硅

Database IDs

• CAS Number: 1747-92-8
• MDL Number: MFCD00004769
• PubChem SID: 162232337
• PubChem CID: 6330251

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4553
• LogD (pH = 7.4): 5.4553
• Log P: 5.4553
• Molar Refractivity: 91.4327 cm^3
• Polarizability: 38.12306 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 91 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C21H22Si