(2-lithioethynyl)trimethylsilane

• ChemBase ID: 137731
• Molecular Formular: C5H9LiSi
• Molecular Mass: 104.15146
• Monoisotopic Mass: 104.06335637
• SMILES: [Li]C#C[Si](C)(C)C
• Canonical SMILES: [Li]C#C[Si](C)(C)C
• InChI: InChI=1S/C5H9Si.Li/c1-5-6(2,3)4;/h2-4H3
• InChIKey: ZVXXEONXFWSCIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-lithioethynyl)trimethylsilane
• IUPAC Traditional name: (2-lithioethynyl)trimethylsilane
• Synonyms: (Trimethylsilyl)ethynyllithium; Lithium (trimethylsilyl)acetylide solution; 三甲基硅基乙炔锂; 三甲基硅烷基乙炔锂 溶液

Database IDs

• CAS Number: 54655-07-1
• MDL Number: MFCD00075059
• Beilstein Number: 3587411
• PubChem SID: 24860321; 162231992
• PubChem CID: 3431600

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.029
• LogD (pH = 7.4): 2.029
• Log P: 2.029
• Molar Refractivity: 22.0473 cm^3
• Polarizability: 12.937176 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -23 °C; -9.4 °F
• Density: 0.88 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37/38
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-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 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: ~0.5 M in THF; 0.5 M in THF
• Grade: purum
• Linear Formula: (CH3)3SiC≡CLi

DETAILS

Sigma Aldrich - 335452

Packaging
4×25, 50, 500 mL in Sure/Seal™
Application
Reacts with halotriazines to produce conductive, anisotropic carbon-nitrogen materials.1

Sigma Aldrich - 62625

Other Notes
Reagent for TMS-ethynylation1