dichloro(methyl)(2-phenylethyl)silane

• ChemBase ID: 139180
• Molecular Formular: C9H12Cl2Si
• Molecular Mass: 219.18308
• Monoisotopic Mass: 218.00853228
• SMILES: C[Si](CCc1ccccc1)(Cl)Cl
• Canonical SMILES: C[Si](CCc1ccccc1)(Cl)Cl
• InChI: InChI=1S/C9H12Cl2Si/c1-12(10,11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
• InChIKey: IDEKNJPMOJJQNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methyl)(2-phenylethyl)silane
• IUPAC Traditional name: dichloro(methyl)(2-phenylethyl)silane
• Synonyms: Dichloromethyl(2-phenethyl)silane; 二氯甲基(2-苯乙基)硅烷

Database IDs

• CAS Number: 772-65-6
• EC Number: 212-253-6
• MDL Number: MFCD00018084
• PubChem SID: 162233428; 24880602
• PubChem CID: 69878

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2823
• LogD (pH = 7.4): 3.2823
• Log P: 3.2823
• Molar Refractivity: 53.4486 cm^3
• Polarizability: 22.343666 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 89 °C/0.5 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 1.124 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5130(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2987 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: C6H5CH2CH2Si(CH3)Cl2