tribenzyl(chloro)silane

• ChemBase ID: 138614
• Molecular Formular: C21H21ClSi
• Molecular Mass: 336.92994
• Monoisotopic Mass: 336.11010488
• SMILES: c1ccc(cc1)C[Si](Cc1ccccc1)(Cc1ccccc1)Cl
• Canonical SMILES: Cl[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C21H21ClSi/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
• InChIKey: UTXPCJHKADAFBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tribenzyl(chloro)silane
• IUPAC Traditional name: tribenzyl(chloro)silane
• Synonyms: Tribenzylchlorosilane; Tribenzylsilyl chloride; Chlorotribenzylsilane; 三苄基硅基氯; 三苄基氯硅烷

Database IDs

• CAS Number: 18740-59-5
• EC Number: 242-549-0
• MDL Number: MFCD00004768
• Beilstein Number: 2942947
• PubChem SID: 162232867; 24854834
• PubChem CID: 87774

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.237
• LogD (pH = 7.4): 7.237
• Log P: 7.237
• Molar Refractivity: 97.231 cm^3
• Polarizability: 39.838463 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 139-142 °C; 139-142 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: ≥95.0% (AT); 97%
• Grade: purum
• Linear Formula: (C6H5CH2)3SiCl

DETAILS

Sigma Aldrich - 246891

Application
Reagent for OH protection.
Packaging
5 g in glass bottle