(naphthalen-2-yl)(phenyl)methanone

• ChemBase ID: 110496
• Molecular Formular: C17H12O
• Molecular Mass: 232.27658
• Monoisotopic Mass: 232.088815
• SMILES: O=C(c1ccccc1)c1ccc2ccccc2c1
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)c1ccccc1
• InChI: InChI=1S/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
• InChIKey: SJNXJRVDSTZUFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-2-yl)(phenyl)methanone
• IUPAC Traditional name: (naphthalen-2-yl)(phenyl)methanone
• Synonyms: 2-Naphthyl phenyl ketone; 2-Benzoylnaphthalene; β-BENZOYLNAPHTHALENE; 2-萘苯基酮; 2-苯甲酰萘

Database IDs

• CAS Number: 644-13-3
• EC Number: 211-410-6
• MDL Number: MFCD00004106
• PubChem SID: 162096197
• PubChem CID: 69516

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: 29.655529 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82°C
• Boiling Point: 216-216°C/7mm

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38; 51/53
• Safety Statements: 26-37; 61
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C17H12O

DETAILS

MP Biomedicals - 05215258

MP Biomedicals Rare Chemical collection