(naphthalen-1-yl)(phenyl)methanone

• ChemBase ID: 107348
• Molecular Formular: C17H12O
• Molecular Mass: 232.27658
• Monoisotopic Mass: 232.088815
• SMILES: O=C(c1ccccc1)c1c2ccccc2ccc1
• Canonical SMILES: O=C(c1cccc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C17H12O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
• InChIKey: CXAYOCVHDCXPAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-1-yl)(phenyl)methanone
• IUPAC Traditional name: (naphthalen-1-yl)(phenyl)methanone
• Synonyms: α-BENZOYLNAPHTHALENE; 1-Naphthyl phenyl ketone; 1-Benzoylnaphthalene; (naphthalen-1-yl)(phenyl)methanone; 1-苯酰基萘

Database IDs

• CAS Number: 642-29-5
• EC Number: 211-382-5
• MDL Number: MFCD00046431
• PubChem SID: 162106046
• PubChem CID: 69503

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4220757
• LogD (pH = 7.4): 4.4220757
• Log P: 4.4220757
• Molar Refractivity: 73.0837 cm^3
• Polarizability: 29.658121 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-76°C
• Hydrophobicity(logP): 4.354

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%

DETAILS

MP Biomedicals - 05203395

MP Biomedicals Rare Chemical collection