chloro(cyclohexyl)dimethylsilane

• ChemBase ID: 136766
• Molecular Formular: C8H17ClSi
• Molecular Mass: 176.75908
• Monoisotopic Mass: 176.07880476
• SMILES: C[Si](C)(C1CCCCC1)Cl
• Canonical SMILES: C[Si](C1CCCCC1)(Cl)C
• InChI: InChI=1S/C8H17ClSi/c1-10(2,9)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
• InChIKey: MEUXNEGJODESOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(cyclohexyl)dimethylsilane
• IUPAC Traditional name: chloro(cyclohexyl)dimethylsilane
• Synonyms: Chlorocyclohexyldimethylsilane; 环己基二甲基氯硅烷

Database IDs

• CAS Number: 71864-47-6
• MDL Number: MFCD00010669
• PubChem SID: 162231035; 24859353
• PubChem CID: 564559

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5275
• LogD (pH = 7.4): 3.5275
• Log P: 3.5275
• Molar Refractivity: 44.4352 cm^3
• Polarizability: 19.473356 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-97 °C/40 mmHg(lit.)
• Flash Point: 145.4 °F; 63 °C
• Density: 0.955 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.462(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: 98%
• Linear Formula: C6H11Si(CH3)2Cl