trimethyl(pent-1-yn-1-yl)silane

• ChemBase ID: 139925
• Molecular Formular: C8H16Si
• Molecular Mass: 140.29814
• Monoisotopic Mass: 140.10212704
• SMILES: CCCC#C[Si](C)(C)C
• Canonical SMILES: CCCC#C[Si](C)(C)C
• InChI: InChI=1S/C8H16Si/c1-5-6-7-8-9(2,3)4/h5-6H2,1-4H3
• InChIKey: CABCDUQQPBAHEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(pent-1-yn-1-yl)silane
• IUPAC Traditional name: trimethyl(pent-1-yn-1-yl)silane
• Synonyms: 1-Pentyn-1-yltrimethylsilane; 1-(Trimethylsilyl)-1-pentyne; 1-戊炔-1-基三甲基硅烷; 1-三甲基硅基-1-戊炔

Database IDs

• CAS Number: 18270-17-2
• MDL Number: MFCD00077890
• Beilstein Number: 1744218
• PubChem SID: 162234172; 24863424
• PubChem CID: 2760860

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6212
• LogD (pH = 7.4): 3.6212
• Log P: 3.6212
• Molar Refractivity: 38.3331 cm^3
• Polarizability: 17.31905 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 135 °C(lit.)
• Flash Point: 30 °C; 86 °F
• Density: 0.765 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.425(lit.); n20/D 1.427

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: CH3CH2CH2C≡CSi(CH3)3

DETAILS

Sigma Aldrich - 376175

Packaging
5 g in glass bottle

Sigma Aldrich - 92784

Other Notes
Versatile derivative of 1-pentyne; SnCl4 and ZnCl2 catalyzed coupling with acetals1; Reaction with allyl-zinc compounds to cyclopentenes2