trihexylsilane

• ChemBase ID: 147329
• Molecular Formular: C18H40Si
• Molecular Mass: 284.5957
• Monoisotopic Mass: 284.28992781
• SMILES: CCCCCC[SiH](CCCCCC)CCCCCC
• Canonical SMILES: CCCCCC[SiH](CCCCCC)CCCCCC
• InChI: InChI=1S/C18H40Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h19H,4-18H2,1-3H3
• InChIKey: IBNSYFQZHBBNLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trihexylsilane
• IUPAC Traditional name: trihexylsilane
• Synonyms: NSC 139856; Trihexylsilane; 三正己硅烷

Database IDs

• CAS Number: 2929-52-4
• EC Number: 220-893-2
• MDL Number: MFCD00009519
• PubChem SID: 162241519; 24856494
• PubChem CID: 6327464

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1255
• LogD (pH = 7.4): 6.1255
• Log P: 6.1255
• Molar Refractivity: 86.8217 cm^3
• Polarizability: 36.894432 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 160.5-161 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.799 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.448(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Purity: 98%
• Linear Formula: [CH3(CH2)5]3SiH

DETAILS

Sigma Aldrich - 276146

Packaging
25 g in glass bottle
Application
Reactant for:
• Enantioselective Si-H insertion1
• Regio- and stereoselective oxidation into silanols2
• Asymmetric carbenoid insertion of diazoacetates into the silicon-hydrogen bond3
• Hydrosilylation of carbon dioxide4Catalyst for hydrodefluorination leading to the synthesis of hydrocarbons5