benzyl(chloromethyl)dimethylsilane

• ChemBase ID: 137485
• Molecular Formular: C10H15ClSi
• Molecular Mass: 198.7646
• Monoisotopic Mass: 198.06315469
• SMILES: C[Si](C)(Cc1ccccc1)CCl
• Canonical SMILES: ClC[Si](Cc1ccccc1)(C)C
• InChI: InChI=1S/C10H15ClSi/c1-12(2,9-11)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
• InChIKey: MEMDIECPWPQFCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(chloromethyl)dimethylsilane
• IUPAC Traditional name: benzyl(chloromethyl)dimethylsilane
• Synonyms: Benzyl(chloromethyl)dimethylsilane; 苯甲基(氯甲基)二甲基硅烷

Database IDs

• CAS Number: 5356-99-0
• MDL Number: MFCD01863486
• PubChem SID: 162231747; 24865642
• PubChem CID: 4046821

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7261
• LogD (pH = 7.4): 4.7261
• Log P: 4.7261
• Molar Refractivity: 51.3454 cm^3
• Polarizability: 22.440477 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-124 °C/40 mmHg(lit.)
• Flash Point: 101 °C; 213.8 °F
• Density: 1.01 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.519(lit.)

Safety Information

• UN Number: 3398
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 29
• Safety Statements: 43
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H261
• GHS Precautionary statements: P231 + P232-P422
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3398 4.3/PG 2

Product Information

• Purity: 97%
• Linear Formula: C6H5CH2Si(CH3)2CH2Cl