prop-1-yn-1-yltris(propan-2-yl)silane

• ChemBase ID: 146706
• Molecular Formular: C12H24Si
• Molecular Mass: 196.40446
• Monoisotopic Mass: 196.1647273
• SMILES: CC#C[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC#C[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C12H24Si/c1-8-9-13(10(2)3,11(4)5)12(6)7/h10-12H,1-7H3
• InChIKey: FDEZWWXTHRGNJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-1-yn-1-yltris(propan-2-yl)silane
• IUPAC Traditional name: triisopropyl(prop-1-yn-1-yl)silane
• Synonyms: 1-(Triisopropylsilyl)-1-propyne; 1-三异丙基硅基-1-丙炔

Database IDs

• CAS Number: 82192-57-2
• MDL Number: MFCD00015636
• PubChem SID: 162240898; 24862013
• PubChem CID: 4074566

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4504
• LogD (pH = 7.4): 4.4504
• Log P: 4.4504
• Molar Refractivity: 56.9285 cm^3
• Polarizability: 24.70526 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 159.8 °F; 71 °C
• Density: 0.82 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4624(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: [(CH3)2CH]3SiC≡CCH3

DETAILS

Sigma Aldrich - 360996

Packaging
5 g in glass bottle