chloro[2-(cyclohex-3-en-1-yl)ethyl]dimethylsilane

• ChemBase ID: 150961
• Molecular Formular: C10H19ClSi
• Molecular Mass: 202.79636
• Monoisotopic Mass: 202.09445482
• SMILES: C[Si](C)(CCC1CCC=CC1)Cl
• Canonical SMILES: C[Si](CCC1CCC=CC1)(Cl)C
• InChI: InChI=1S/C10H19ClSi/c1-12(2,11)9-8-10-6-4-3-5-7-10/h3-4,10H,5-9H2,1-2H3
• InChIKey: XQRFNPGYTWWODZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[2-(cyclohex-3-en-1-yl)ethyl]dimethylsilane
• IUPAC Traditional name: chloro[2-(cyclohex-3-en-1-yl)ethyl]dimethylsilane
• Synonyms: Chloro[2-(3-cyclohexen-1-yl)ethyl]dimethylsilane; 氯[2-(3-环己烯-1-基)乙基]二甲基硅烷

Database IDs

• CAS Number: 5089-25-8
• MDL Number: MFCD00039472
• PubChem SID: 24868684; 162245120
• PubChem CID: 3538150

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9402
• LogD (pH = 7.4): 3.9402
• Log P: 3.9402
• Molar Refractivity: 54.9884 cm^3
• Polarizability: 22.91398 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119-120 °C/21 mmHg(lit.)
• Flash Point: 204.8 °F; 96 °C
• Density: 0.956 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.474(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34
• Safety Statements: 23-26-36/37/39-45
• 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
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 90%
• Grade: technical grade
• Linear Formula: C6H9CH2CH2Si(CH3)2Cl

DETAILS

Sigma Aldrich - 452238

Packaging
25, 100 mL in glass bottle