trichloro(oct-7-en-1-yl)silane

• ChemBase ID: 147278
• Molecular Formular: C8H15Cl3Si
• Molecular Mass: 245.6492
• Monoisotopic Mass: 244.00086005
• SMILES: C=CCCCCCC[Si](Cl)(Cl)Cl
• Canonical SMILES: C=CCCCCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C8H15Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2
• InChIKey: MFISPHKHJHQREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(oct-7-en-1-yl)silane
• IUPAC Traditional name: trichloro(oct-7-en-1-yl)silane
• Synonyms: Octenyltrichlorosilane, mixture of isomers; 辛烯基三氯硅烷，异构体混合物

Database IDs

• CAS Number: 153447-97-3
• MDL Number: MFCD00039292
• PubChem SID: 162241468; 24878387
• PubChem CID: 104122

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5073
• LogD (pH = 7.4): 4.5073
• Log P: 4.5073
• Molar Refractivity: 56.1797 cm^3
• Polarizability: 23.680033 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 223-224 °C(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 1.07 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.458(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: 26-36/37/39-45
• 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: 96%
• Impurities: 10-15% internal olefin isomers
• Linear Formula: CH2=CH(CH2)6SiCl3

DETAILS

Sigma Aldrich - 539279

Packaging
25 mL in glass bottle