tris(2-methylpropyl)silane

• ChemBase ID: 139912
• Molecular Formular: C12H28Si
• Molecular Mass: 200.43622
• Monoisotopic Mass: 200.19602743
• SMILES: CC(C)C[SiH](CC(C)C)CC(C)C
• Canonical SMILES: CC(C[SiH](CC(C)C)CC(C)C)C
• InChI: InChI=1S/C12H28Si/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-13H,7-9H2,1-6H3
• InChIKey: BORQTRQJFUNMBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methylpropyl)silane
• IUPAC Traditional name: tris(2-methylpropyl)silane
• Synonyms: Triisobutylsilane; 三异丁基硅烷

Database IDs

• CAS Number: 6485-81-0
• MDL Number: MFCD00010340
• Beilstein Number: 1738887
• PubChem SID: 162234159; 24856831; 24889597
• PubChem CID: 11019901

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7672
• LogD (pH = 7.4): 3.7672
• Log P: 3.7672
• Molar Refractivity: 58.8275 cm^3
• Polarizability: 25.812912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 204-206 °C(lit.)
• Flash Point: 109 °C; 228.2 °F
• Density: 0.764 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.435; n20/D 1.435(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.5% (GC); 99%
• Grade: puriss.
• Linear Formula: [(CH3)2CHCH2]3SiH

DETAILS

Sigma Aldrich - 278785

Packaging
10, 50 g in glass bottle