3-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 148158
• Molecular Formular: C10H13NSi
• Molecular Mass: 175.30242
• Monoisotopic Mass: 175.08172595
• SMILES: C[Si](C)(C)C#Cc1cccnc1
• Canonical SMILES: C[Si](C#Cc1cccnc1)(C)C
• InChI: InChI=1S/C10H13NSi/c1-12(2,3)8-6-10-5-4-7-11-9-10/h4-5,7,9H,1-3H3
• InChIKey: MTMBLPOPETZZRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC Traditional name: 3-[2-(trimethylsilyl)ethynyl]pyridine
• Synonyms: 3-[(Trimethylsilyl)ethynyl]pyridine; 3-[(三甲基硅基)乙炔基]吡啶

Database IDs

• CAS Number: 80673-00-3
• MDL Number: MFCD01863744
• PubChem SID: 162242335; 24874199
• PubChem CID: 4100857

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7131333
• LogD (pH = 7.4): 2.7336311
• Log P: 2.7339
• Molar Refractivity: 44.1377 cm^3
• Polarizability: 20.474997 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 229 °C(lit.)
• Flash Point: 201.2 °F; 94 °C
• Density: 0.922 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.529(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: 97%
• Empirical Formula (Hill Notation): C10H13NSi

DETAILS

Sigma Aldrich - 521264

Packaging
5 g in glass bottle