2-(naphthalen-1-yl)-5-phenyl-1,3-oxazole

• ChemBase ID: 103625
• Molecular Formular: C19H13NO
• Molecular Mass: 271.31262
• Monoisotopic Mass: 271.09971404
• SMILES: o1c(cnc1c1c2ccccc2ccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cnc(o1)c1cccc2c1cccc2
• InChI: InChI=1S/C19H13NO/c1-2-8-15(9-3-1)18-13-20-19(21-18)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H
• InChIKey: WWVFJJKBBZXWFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)-5-phenyl-1,3-oxazole
• IUPAC Traditional name: 2-(naphthalen-1-yl)-5-phenyl-1,3-oxazole
• Synonyms: α-NPO; 2-(1-Naphthyl)-5-phenyloxazole; α-NAPHTHYLPHENYLOXAZOLE; alpha-NPO; 2-(1-Naphthyl)-5-phenyloxazole, laser grade and suitable for scintillation spectrometry; α-NPO; 2-(1-NAPHTHYL)-5-PHENYLOXAZOLE; 2-(1-萘基)-5-苯基噁唑,激光级,适用于闪烁能谱测定

Database IDs

• CAS Number: 846-63-9
• EC Number: 212-689-7
• MDL Number: MFCD00019714
• Beilstein Number: 210666
• PubChem SID: 24897414; 162090740
• PubChem CID: 70058

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4966063
• LogD (pH = 7.4): 4.4966106
• Log P: 4.4966106
• Molar Refractivity: 93.3329 cm^3
• Polarizability: 35.31504 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: light green crystalline
• Melting Point: 104-105°C

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 99+%
• Suitability: suitable for liquid scintillation spectrometry

DETAILS

MP Biomedicals - 05211522

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02152476

Light green crystals.
Used in liquid scintillation spectrometry.