trimethyl(phenyl)silane

• ChemBase ID: 111864
• Molecular Formular: C9H14Si
• Molecular Mass: 150.29296
• Monoisotopic Mass: 150.08647698
• SMILES: C[Si](C)(C)c1ccccc1
• Canonical SMILES: C[Si](c1ccccc1)(C)C
• InChI: InChI=1S/C9H14Si/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
• InChIKey: KXFSUVJPEQYUGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(phenyl)silane
• IUPAC Traditional name: silane, trimethyl phenyl
• Synonyms: TRIMETHYLPHENYLSILANE; Trimethylphenylsilane; Phenyltrimethylsilane; (Trimethylsilyl)benzene; Phenyltrimethylsilane; Trimethyl(phenyl)silane; 苯基三甲基硅烷; (三甲基硅基)苯; 苯基三甲基硅烷; 三甲基苯基硅烷

Database IDs

• CAS Number: 768-32-1
• EC Number: 212-192-5
• MDL Number: MFCD00008271
• Beilstein Number: 1855012
• PubChem SID: 24887434; 24851844; 162096880
• PubChem CID: 69849

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6312
• LogD (pH = 7.4): 3.6312
• Log P: 3.6312
• Molar Refractivity: 42.1216 cm^3
• Polarizability: 18.83388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 168-170 °C(lit.); 169-170°C
• Flash Point: 104 °F; 40 °C; 40°C(104°F)
• Density: 0.871; 0.873 g/mL at 25 °C(lit.)
• Refractive Index: 1.4900; n20/D 1.491; n20/D 1.491(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/38; 10-41
• Safety Statements: 16-26-36/39; 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H315-H319; H226-H318-H413
• GHS Precautionary statements: P261-P280G-P305+P351+P338; P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 99%
• Grade: purum
• Linear Formula: C6H5Si(CH3)3

DETAILS

MP Biomedicals - 05221421

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 197734

Packaging
25 g in glass bottle

REFERENCES

• Reagent, in combination with iodine, for cleavage of esters and ethers, cf Iodotrimethylsilane, A12902. Reported to be superior to TMS iodide for the cleavage of aryl ethers: Synthesis, 417 (1977).