benzyl(chloro)dimethylsilane

• ChemBase ID: 151592
• Molecular Formular: C9H13ClSi
• Molecular Mass: 184.73802
• Monoisotopic Mass: 184.04750463
• SMILES: C[Si](C)(Cc1ccccc1)Cl
• Canonical SMILES: C[Si](Cc1ccccc1)(Cl)C
• InChI: InChI=1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• InChIKey: ABHNFDUSOVXXOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(chloro)dimethylsilane
• IUPAC Traditional name: benzyl(chloro)dimethylsilane
• Synonyms: Benzylchlorodimethylsilane; Benzylchlorodimethylsilane; 苄基二甲基氯硅烷

Database IDs

• CAS Number: 1833-31-4
• MDL Number: MFCD00018089
• PubChem SID: 24880028; 162245744
• PubChem CID: 15780

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7542
• LogD (pH = 7.4): 3.7542
• Log P: 3.7542
• Molar Refractivity: 48.0614 cm^3
• Polarizability: 20.588423 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101-103 °C/18 mmHg(lit.)
• Flash Point: 163.4 °F; 73 °C
• Density: 1.018 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.511(lit.)

Safety Information

• RTECS: VV1810000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• 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: 95+%; 97%
• Linear Formula: C6H5CH2Si(CH3)2Cl

DETAILS

Sigma Aldrich - 562378

Packaging
5 mL in glass bottle