2-(naphthalen-2-yl)naphthalene

• ChemBase ID: 87130
• Molecular Formular: C20H14
• Molecular Mass: 254.32516
• Monoisotopic Mass: 254.10955045
• SMILES: c1c2ccccc2ccc1c1ccc2ccccc2c1
• Canonical SMILES: c1ccc2c(c1)cc(cc2)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
• InChIKey: MSBVBOUOMVTWKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)naphthalene
• IUPAC Traditional name: 2,2'-binaphthalene
• Synonyms: β,β'-BINAPHTHYL; 2,2'-Binaphthyl

Database IDs

• CAS Number: 612-78-2
• EC Number: 210-320-4
• MDL Number: MFCD00021584
• PubChem SID: 162074246
• PubChem CID: 69166

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.599425
• LogD (pH = 7.4): 5.599425
• Log P: 5.599425
• Molar Refractivity: 84.0946 cm^3
• Polarizability: 36.928608 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:36/37/38-42
• Safety Statements: S:22-24-26-36/37

DETAILS

MP Biomedicals - 05202287

MP Biomedicals Rare Chemical collection