[2-(2,4-difluorophenyl)ethynyl]trimethylsilane

• ChemBase ID: 151800
• Molecular Formular: C11H12F2Si
• Molecular Mass: 210.2952864
• Monoisotopic Mass: 210.06763336
• SMILES: C[Si](C)(C)C#Cc1ccc(cc1F)F
• Canonical SMILES: Fc1ccc(c(c1)F)C#C[Si](C)(C)C
• InChI: InChI=1S/C11H12F2Si/c1-14(2,3)7-6-9-4-5-10(12)8-11(9)13/h4-5,8H,1-3H3
• InChIKey: SWLZYZRQYWWIJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,4-difluorophenyl)ethynyl]trimethylsilane
• IUPAC Traditional name: [2-(2,4-difluorophenyl)ethynyl]trimethylsilane
• Synonyms: (2,4-Difluorophenylethynyl)trimethylsilane; (2,4-二氟苯基乙炔基)三甲基硅烷

Database IDs

• CAS Number: 480438-92-4
• MDL Number: MFCD03701553
• PubChem SID: 24880103; 162245946
• PubChem CID: 4182594

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3248
• LogD (pH = 7.4): 4.3248
• Log P: 4.3248
• Molar Refractivity: 46.7274 cm^3
• Polarizability: 20.705938 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85 °C/0.1 mmHg(lit.)
• Flash Point: 194 °F; 90 °C
• Density: 1.005 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4960(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 96%
• Linear Formula: C6H3F2C≡CSi(CH3)3

DETAILS

Sigma Aldrich - 563471

Packaging
1 mL in glass bottle