[2-(4-fluorophenyl)ethynyl]trimethylsilane

• ChemBase ID: 151799
• Molecular Formular: C11H13FSi
• Molecular Mass: 192.3048232
• Monoisotopic Mass: 192.07705517
• SMILES: C[Si](C)(C)C#Cc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C#C[Si](C)(C)C
• InChI: InChI=1S/C11H13FSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
• InChIKey: ZRXYWQKYSSVZNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-fluorophenyl)ethynyl]trimethylsilane
• IUPAC Traditional name: [2-(4-fluorophenyl)ethynyl]trimethylsilane
• Synonyms: (4-Fluorophenylethynyl)trimethylsilane; [2-(4-fluorophenyl)ethynyl]trimethylsilane; (4-氟苯乙炔)三甲基硅烷

Database IDs

• CAS Number: 130995-12-9
• MDL Number: MFCD03701552
• PubChem SID: 24880102; 162245945
• PubChem CID: 5102724

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1853
• LogD (pH = 7.4): 4.1853
• Log P: 4.1853
• Molar Refractivity: 46.511 cm^3
• Polarizability: 21.007984 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40 °C/0.1 mmHg(lit.)
• Flash Point: 194 °F; 90 °C
• Density: 0.948 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5090(lit.)
• Hydrophobicity(logP): 4.776

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%; null%
• Linear Formula: FC6H4C≡CSi(CH3)3

DETAILS

Sigma Aldrich - 563463

Packaging
5 mL in glass bottle