5-phenyl-2-(4-phenylphenyl)-1,3-oxazole

• ChemBase ID: 107877
• Molecular Formular: C21H15NO
• Molecular Mass: 297.3499
• Monoisotopic Mass: 297.11536411
• SMILES: o1c(cnc1c1ccc(cc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1ncc(o1)c1ccccc1
• InChI: InChI=1S/C21H15NO/c1-3-7-16(8-4-1)17-11-13-19(14-12-17)21-22-15-20(23-21)18-9-5-2-6-10-18/h1-15H
• InChIKey: RQGVWYIZAUHBBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-2-(4-phenylphenyl)-1,3-oxazole
• IUPAC Traditional name: 5-phenyl-2-(4-phenylphenyl)-1,3-oxazole
• Synonyms: BPO; 2-(4-Biphenyl)-5-phenyloxazole; 2-(4-BIPHENYLYL)-5-PHENYL0XAZOLE; 2-(4-联苯基)-5-苯基噁唑

Database IDs

• CAS Number: 852-37-9
• EC Number: 212-711-5
• MDL Number: MFCD00005304
• PubChem SID: 162094012; 24852986
• PubChem CID: 96728

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1543536
• LogD (pH = 7.4): 5.1543593
• Log P: 5.1543593
• Molar Refractivity: 102.0189 cm^3
• Polarizability: 38.777084 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 115-119 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36
• Safety Statements: 26-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H319-H413
• GHS Precautionary statements: P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C21H15NO

DETAILS

MP Biomedicals - 05205295

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 216984

Application
Suitable as a laser dye
Packaging
1 g in glass bottle