1-phenylnaphthalene

• ChemBase ID: 150746
• Molecular Formular: C16H12
• Molecular Mass: 204.26648
• Monoisotopic Mass: 204.09390038
• SMILES: c1ccc(cc1)c1cccc2c1cccc2
• Canonical SMILES: c1ccc(cc1)c1cccc2c1cccc2
• InChI: InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H
• InChIKey: IYDMICQAKLQHLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylnaphthalene
• IUPAC Traditional name: naphthalene, 1-phenyl-
• Synonyms: 1-Naphthylbenzene; 1-Phenylnaphthalene; 1-Phenylnaphthalene; 1-苯基萘

Database IDs

• CAS Number: 605-02-7
• EC Number: 210-081-6
• MDL Number: MFCD00003983
• Beilstein Number: 1906885
• PubChem SID: 162244906; 24898356
• PubChem CID: 11795

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.609948
• LogD (pH = 7.4): 4.609948
• Log P: 4.609948
• Molar Refractivity: 67.6444 cm^3
• Polarizability: 29.2335 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 320°C; 324-325 °C(lit.)
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F
• Density: 1.085 g/mL at 25 °C(lit.); 1.088
• Refractive Index: 1.6640; n20/D 1.664(lit.)

Safety Information

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

Product Information

• Purity: 95+%; 96%; 97%
• Linear Formula: C10H7C6H5

DETAILS

Sigma Aldrich - P27402

Packaging
5 g in glass bottle