benzyltrimethylsilane

• ChemBase ID: 111767
• Molecular Formular: C10H16Si
• Molecular Mass: 164.31954
• Monoisotopic Mass: 164.10212704
• SMILES: C[Si](C)(C)Cc1ccccc1
• Canonical SMILES: C[Si](Cc1ccccc1)(C)C
• InChI: InChI=1S/C10H16Si/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• InChIKey: MRIWRLGWLMRJIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyltrimethylsilane
• IUPAC Traditional name: benzyltrimethylsilane
• Synonyms: BENZYLTRIMETHYLSILANE; Benzyltrimethylsilane; 苄基三甲基硅烷

Database IDs

• CAS Number: 770-09-2
• EC Number: 212-218-5
• MDL Number: MFCD00039796
• Beilstein Number: 1928113
• PubChem SID: 24863552; 162098119; 24848445
• PubChem CID: 69862

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9411
• LogD (pH = 7.4): 3.9411
• Log P: 3.9411
• Molar Refractivity: 46.8582 cm^3
• Polarizability: 20.678381 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 187-190 °C(lit.); 190-191°C
• Flash Point: 134.6 °F; 57 °C; 57°C(134°F)
• Density: 0.863 g/mL at 25 °C(lit.); 0.866
• Refractive Index: 1.4940; n20/D 1.493; n20/D 1.493(lit.)

Safety Information

• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥90% (GC); 98%; 99%
• Grade: technical
• Linear Formula: C6H5CH2Si(CH3)3

DETAILS

MP Biomedicals - 05220850

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 378283

包装
25 mL in glass bottle

Sigma Aldrich - 14003

Other Notes
Silicon reagent for generating benzyl anions1,2,3

REFERENCES

• Peterson olefination reaction of the lithio-derivative with aromatic aldehydes gives mixtures of (E)- and (Z)-stilbenes: J. Org. Chem., 33, 780 (1968). See Appendix 4.
• In the presence of F^-, acts as a benzyl carbanion equivalent: Bull. Soc. Chim. Fr. II, 90 (1985):