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

• ChemBase ID: 109176
• Molecular Formular: C27H19NO
• Molecular Mass: 373.44586
• Monoisotopic Mass: 373.14666423
• SMILES: o1c(cnc1c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cc1)c1ncc(o1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
• InChIKey: DDZJGFHXUOWOSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(4-phenylphenyl)-1,3-oxazole
• IUPAC Traditional name: 2,5-bis(4-phenylphenyl)-1,3-oxazole
• Synonyms: 2,5-BIS(4-BIPHENYLYL) OXAZOLE; BBO; 2,5-Di(4-biphenylyl)oxazole; 2,5-Bis(4-biphenylyl)oxazole; 2,5-双(4-联苯基)恶唑

Database IDs

• CAS Number: 2083-09-2
• EC Number: 218-220-2
• MDL Number: MFCD00005305
• Beilstein Number: 305439
• PubChem SID: 162094908
• PubChem CID: 95231

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.801579
• LogD (pH = 7.4): 6.8015847
• Log P: 6.8015847
• Molar Refractivity: 127.1551 cm^3
• Polarizability: 49.908016 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 238-240°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05210115

MP Biomedicals Rare Chemical collection

REFERENCES

• For scintillation work.