dichloro(hexyl)methylsilane

• ChemBase ID: 156809
• Molecular Formular: C7H16Cl2Si
• Molecular Mass: 199.19344
• Monoisotopic Mass: 198.0398324
• SMILES: CCCCCC[Si](C)(Cl)Cl
• Canonical SMILES: CCCCCC[Si](Cl)(Cl)C
• InChI: InChI=1S/C7H16Cl2Si/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3
• InChIKey: KKRMHVJQWMXYBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(hexyl)methylsilane
• IUPAC Traditional name: dichloro(hexyl)methylsilane
• Synonyms: Hexyl-methyl-dichlorosilane; Dichloro-hexyl-methylsilane; 己基甲基二氯硅烷; 正己基甲基二氯硅烷

Database IDs

• CAS Number: 14799-94-1
• EC Number: 238-864-8
• MDL Number: MFCD00039295
• Beilstein Number: 1736998
• PubChem SID: 24877861; 162250946
• PubChem CID: 84650

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.254
• LogD (pH = 7.4): 3.254
• Log P: 3.254
• Molar Refractivity: 47.1566 cm^3
• Polarizability: 20.209322 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 204-206 °C(lit.)
• Flash Point: 185 °F; 85 °C
• Density: 0.992 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.439

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-28-36/37/39-45
• 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: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C7H16Cl2Si