(2-iodoethynyl)trimethylsilane

• ChemBase ID: 146621
• Molecular Formular: C5H9ISi
• Molecular Mass: 224.11493
• Monoisotopic Mass: 223.95182482
• SMILES: C[Si](C)(C)C#CI
• Canonical SMILES: IC#C[Si](C)(C)C
• InChI: InChI=1S/C5H9ISi/c1-7(2,3)5-4-6/h1-3H3
• InChIKey: HNIRHTRSZDSMOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-iodoethynyl)trimethylsilane
• IUPAC Traditional name: (2-iodoethynyl)trimethylsilane
• Synonyms: 1-Iodo-2-(trimethylsilyl)acetylene; 1-碘-2-三甲基硅基乙炔

Database IDs

• CAS Number: 18163-47-8
• MDL Number: MFCD00274201
• PubChem SID: 162240815; 24865951
• PubChem CID: 140341

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.464
• LogD (pH = 7.4): 3.464
• Log P: 3.464
• Molar Refractivity: 35.9935 cm^3
• Polarizability: 16.903402 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130 °C(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 1.46 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.511(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 63-10-20/21/22-42/43
• Safety Statements: 16-23-36/37/39-45
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H312-H317-H332-H334-H361
• GHS Precautionary statements: P261-P280-P342 + P311
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: (CH3)3SiC≡CI

DETAILS

Sigma Aldrich - 414670

Packaging
1 g in glass bottle