naphthalen-1-yl(phenyl)silane

• ChemBase ID: 136679
• Molecular Formular: C16H14Si
• Molecular Mass: 234.36786
• Monoisotopic Mass: 234.08647698
• SMILES: c1ccc(cc1)[SiH2]c1cccc2c1cccc2
• Canonical SMILES: c1ccc(cc1)[SiH2]c1cccc2c1cccc2
• InChI: InChI=1S/C16H14Si/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,17H2
• InChIKey: FYPVRHDXFWNYTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-yl(phenyl)silane
• IUPAC Traditional name: naphthalen-1-yl(phenyl)silane
• Synonyms: 1-(Phenylsilyl)naphthalene; 1-Naphthylphenylsilane

Database IDs

• CAS Number: 21701-61-1
• MDL Number: MFCD20441980
• PubChem SID: 162230949
• PubChem CID: 9859486

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5996
• LogD (pH = 7.4): 3.5996
• Log P: 3.5996
• Molar Refractivity: 68.9988 cm^3
• Polarizability: 30.573418 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.069 g/mL at 25 °C
• Refractive Index: n20/D 1.644

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C16H14Si

DETAILS

Sigma Aldrich - 736597

包装
1, 5 g in glass bottle