dichloro(methyl)[2-(4-methylphenyl)ethyl]silane

• ChemBase ID: 138266
• Molecular Formular: C10H14Cl2Si
• Molecular Mass: 233.20966
• Monoisotopic Mass: 232.02418234
• SMILES: Cc1ccc(cc1)CC[Si](C)(Cl)Cl
• Canonical SMILES: Cc1ccc(cc1)CC[Si](Cl)(Cl)C
• InChI: InChI=1S/C10H14Cl2Si/c1-9-3-5-10(6-4-9)7-8-13(2,11)12/h3-6H,7-8H2,1-2H3
• InChIKey: IANFZVVVYPCBTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methyl)[2-(4-methylphenyl)ethyl]silane
• IUPAC Traditional name: dichloro(methyl)[2-(4-methylphenyl)ethyl]silane
• Synonyms: Dichloromethyl(4-methylphenethyl)silane; 二氯甲基(4-甲苯乙基)硅烷

Database IDs

• CAS Number: 63126-87-4
• PubChem SID: 162232523
• PubChem CID: 4381601

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7495
• LogD (pH = 7.4): 3.7495
• Log P: 3.7495
• Molar Refractivity: 58.4898 cm^3
• Polarizability: 24.103949 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-105 °C/2 mmHg(lit.)
• Flash Point: 203 °F; 95 °C
• Density: 1.1 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.512(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: 95%
• Linear Formula: CH3C6H4CH2CH2Si(CH3)Cl2