methyl(phenyl)silane

• ChemBase ID: 151306
• Molecular Formular: C7H10Si
• Molecular Mass: 122.2398
• Monoisotopic Mass: 122.05517685
• SMILES: C[SiH2]c1ccccc1
• Canonical SMILES: C[SiH2]c1ccccc1
• InChI: InChI=1S/C7H10Si/c1-8-7-5-3-2-4-6-7/h2-6H,8H2,1H3
• InChIKey: QRLBICHXRCOJDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(phenyl)silane
• IUPAC Traditional name: silane, methylphenyl-
• Synonyms: Methylphenylsilane; 甲基苯基硅烷

Database IDs

• CAS Number: 766-08-5
• EC Number: 212-160-0
• MDL Number: MFCD00039787
• Beilstein Number: 2935287
• PubChem SID: 162245462; 24871873; 24885707
• PubChem CID: 6327655

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2382
• LogD (pH = 7.4): 1.2382
• Log P: 1.2382
• Molar Refractivity: 32.6234 cm^3
• Polarizability: 15.140865 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-143 °C/751 mmHg(lit.)
• Flash Point: 25 °C; 77 °F
• Density: 0.89 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.506; n20/D 1.506(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-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: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: C6H5SiH2(CH3)

DETAILS

Sigma Aldrich - 483176

Packaging
10 mL in glass bottle