trimethyl[2-(naphthalen-1-yl)ethynyl]silane

• ChemBase ID: 151894
• Molecular Formular: C15H16Si
• Molecular Mass: 224.37304
• Monoisotopic Mass: 224.10212704
• SMILES: C[Si](C)(C)C#Cc1cccc2c1cccc2
• Canonical SMILES: C[Si](C#Cc1cccc2c1cccc2)(C)C
• InChI: InChI=1S/C15H16Si/c1-16(2,3)12-11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,1-3H3
• InChIKey: WATBCTJRCLNXNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[2-(naphthalen-1-yl)ethynyl]silane
• IUPAC Traditional name: trimethyl[2-(naphthalen-1-yl)ethynyl]silane
• Synonyms: Trimethyl[(naphthalen-1-yl)ethynyl]silane; 1-(1-Naphthyl)-2-(trimethylsilyl)acetylene; 三甲基[(萘-1-基)乙炔基]硅烷; 1-(1-萘基)-2-(三甲基硅基)乙炔

Database IDs

• CAS Number: 104784-51-2
• MDL Number: MFCD04039886
• PubChem SID: 162246040; 24880097
• PubChem CID: 4438232

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.048
• LogD (pH = 7.4): 5.048
• Log P: 5.048
• Molar Refractivity: 62.7448 cm^3
• Polarizability: 29.026052 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Boiling Point: 292-293 °C(lit.)
• Flash Point: >110 °C; >230 °F
• Density: 0.968 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.595(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: C10H7C≡CSi(CH3)3

DETAILS

Sigma Aldrich - 563412

Packaging
5 g in glass bottle