dichloro(cyclohexyl)methylsilane

• ChemBase ID: 134463
• Molecular Formular: C7H14Cl2Si
• Molecular Mass: 197.17756
• Monoisotopic Mass: 196.02418234
• SMILES: C[Si](C1CCCCC1)(Cl)Cl
• Canonical SMILES: C[Si](C1CCCCC1)(Cl)Cl
• InChI: InChI=1S/C7H14Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
• InChIKey: YUYHCACQLHNZLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(cyclohexyl)methylsilane
• IUPAC Traditional name: dichloro(cyclohexyl)methylsilane
• Synonyms: Cyclohexyl-dichloro-methylsilane; Cyclohexyl-methyl-dichlorosilane; Dichloro-cyclohexyl-methylsilane; 环己基二氯甲基硅烷; 环己基甲基二氯硅烷; 甲基二氯环己基硅烷

Database IDs

• CAS Number: 5578-42-7
• EC Number: 226-956-0
• MDL Number: MFCD00046333
• Beilstein Number: 2935173
• PubChem SID: 162228739; 24857723
• PubChem CID: 79685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9037
• LogD (pH = 7.4): 2.9037
• Log P: 2.9037
• Molar Refractivity: 45.0122 cm^3
• Polarizability: 19.495363 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 83 °C/15 mmHg(lit.)
• Flash Point: 177.8 °F; 81 °C
• Density: 1.094 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.471

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-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): C7H14Cl2Si