5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole

• ChemBase ID: 85718
• Molecular Formular: C24H16N2O2
• Molecular Mass: 364.39604
• Monoisotopic Mass: 364.12117776
• SMILES: n1c(c2ccc(cc2)c2ncc(o2)c2ccccc2)oc(c1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cnc(o1)c1ccc(cc1)c1ncc(o1)c1ccccc1
• InChI: InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H
• InChIKey: MASVCBBIUQRUKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
• IUPAC Traditional name: popop
• Synonyms: POPOP; Di(phenyl-5-oxazolyl-2)-1,4-benzene; 1,4-Bis(5-phenyl-2-oxazolyl)benzene; 2,2′-p-Phenylene-bis(5-phenyloxazole); 1,4-Bis(5-phenyl-2-oxazolyl)benzene; 1,4-BIS-2-(5-PHNYLOXAZOLYL)BENZENE; POPOP; 1,4-bis-(5-PHENYLOXAZOL-2-YL)BENZENE; 5-Phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole; 1,4-Bis(5-phenyl-1,3-oxazol-2-yl)benzene; 1,4-Bis(5-phenyloxazol-2-yl)benzene; 1,4-Bis(5-phenyloxazol-2-yl)benzene; 1,4-双(5-苯基-2-恶唑)苯; 2,2′-(1,4-亚苯基)双(5-苯基恶唑); 1,4-双(5-苯基-2-恶唑)苯; 1,4-双(5-苯基噁唑-2-基)苯

Database IDs

• CAS Number: 1806-34-4
• EC Number: 217-304-6
• MDL Number: MFCD00005309
• Beilstein Number: 325741
• PubChem SID: 162072834; 24898445
• PubChem CID: 15732
• Wikipedia Title: POPOP

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0410123
• LogD (pH = 7.4): 5.041022
• Log P: 5.041022
• Molar Refractivity: 127.7074 cm^3
• Polarizability: 44.93612 Å^3
• Polar Surface Area: 52.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 241-243°C; 242-246 °C(lit.); 243-246 °C; 244-246°C
• Absorption Wavelength: λmax 362 nm

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Harmful
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36
• Safety Statements: 22-24/25-26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (TLC); ≥99%; 95+%; 98%; 98+%
• Grade: purum
• Suitability: suitable for scintillation
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C24H16N2O2

DETAILS

MP Biomedicals - 05205606

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02195452

Used in liquid scintillation spectrometry

Sigma Aldrich - 257397

Application
Suitable as laser dye

Sigma Aldrich - 15150

Quantity
λmax. 358 nm, log ε 4.72
Application
POPOP is a fluorescent reagent that has been shown to be phototoxic against several types of microorganisms and, therefore, is capable of producing singlet oxygen 1. Utilized as a secondary scintillator in scintillation cocktails 2,3,4,5,6.

REFERENCES

• For scintillation work.