trichloro(2-phenylethyl)silane

• ChemBase ID: 151300
• Molecular Formular: C8H9Cl3Si
• Molecular Mass: 239.60156
• Monoisotopic Mass: 237.95390986
• SMILES: c1ccc(cc1)CC[Si](Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](CCc1ccccc1)(Cl)Cl
• InChI: InChI=1S/C8H9Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: FMYXZXAKZWIOHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(2-phenylethyl)silane
• IUPAC Traditional name: trichloro(2-phenylethyl)silane
• Synonyms: (2-Phenylethyl)trichlorosilane; Phenethyltrichlorosilane; Trichloro(phenethyl)silane; (2-苯乙基)三氯硅烷; 苯乙基三氯硅烷; 三氯(苯乙基)硅烷

Database IDs

• CAS Number: 940-41-0
• EC Number: 213-371-0
• MDL Number: MFCD00039290
• Beilstein Number: 2936059
• PubChem SID: 162245456; 24866304
• PubChem CID: 70327

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9581
• LogD (pH = 7.4): 3.9581
• Log P: 3.9581
• Molar Refractivity: 53.2256 cm^3
• Polarizability: 22.396961 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 93-96 °C/3 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.234 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.513(lit.)

Safety Information

• RTECS: VV6475000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-21-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H311-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 2922 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 95%
• Linear Formula: C6H5CH2CH2SiCl3

DETAILS

Sigma Aldrich - 420034

Packaging
1 g in glass bottle