chlorotriphenylsilane

• ChemBase ID: 111503
• Molecular Formular: C18H15ClSi
• Molecular Mass: 294.8502
• Monoisotopic Mass: 294.06315469
• SMILES: Cl[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cl[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15ClSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChIKey: MNKYQPOFRKPUAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorotriphenylsilane
• IUPAC Traditional name: chlorotriphenylsilane
• Synonyms: TRIPHENYLCHLOROSILANE; TPSCl; Triphenylchlorosilane; Chlorotriphenylsilane; 三苯基氯硅烷

Database IDs

• CAS Number: 76-86-8
• EC Number: 200-989-0
• MDL Number: MFCD00000496
• Beilstein Number: 1820487
• PubChem SID: 162089685; 24847159; 24889655
• PubChem CID: 6458

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9081
• LogD (pH = 7.4): 5.9081
• Log P: 5.9081
• Molar Refractivity: 82.5592 cm^3
• Polarizability: 34.300137 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetone: soluble0.1 g/mL, clear
• Melting Point: 91-94 °C(lit.); 91-96°C
• Boiling Point: 188-189°C/3mm
• Flash Point: >200°C(392°F)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV2720000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-37; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318; H314-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-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: ≥97.0% (GC); 96%
• Grade: purum
• Linear Formula: (C6H5)3SiCl

DETAILS

MP Biomedicals - 05219545

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 114162

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 93008

Other Notes
Bulky silylating agent1,2,3

REFERENCES

• Silylating agent: J. Chem. Soc., 3403 (1963); see Appendix 4. The stability of the bulky triphenylsilyl (TPS) ethers to basic hydrolysis is similar to TMS, but they are about 400x more stable to acid hydrolysis. Suitable conditions for their cleavage include: ethanolic NaOH; AcOH - water - THF at 70^o: Chem. Lett., 1499 (1979); and TBAF: J. Am .Chem. Soc., 108, 3827 (1986).