2,5-diphenyl-1,3-oxazole

• ChemBase ID: 85657
• Molecular Formular: C15H11NO
• Molecular Mass: 221.25394
• Monoisotopic Mass: 221.08406398
• SMILES: n1c(c2ccccc2)oc(c1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ncc(o1)c1ccccc1
• InChI: InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H
• InChIKey: CNRNYORZJGVOSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diphenyl-1,3-oxazole
• IUPAC Traditional name: oxazole, 2,5-diphenyl-
• Synonyms: DPO; 2,5-Diphenyloxazole; PPO; PPO; 2,5-DIPHENYLOXAZOLE; 2,5-diphenyl-1,3-oxazole; 2,5-二苯基恶唑; 2,5-二苯基噁唑

Database IDs

• CAS Number: 92-71-7
• EC Number: 202-181-3
• MDL Number: MFCD00005306
• Beilstein Number: 157021
• PubChem SID: 162072773; 24867013; 24893626; 24893888
• PubChem CID: 7105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5071285
• LogD (pH = 7.4): 3.507134
• Log P: 3.507134
• Molar Refractivity: 76.8827 cm^3
• Polarizability: 27.664715 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-74°C; 72-73 °C; 72-73°C; 72-74 °C(lit.)
• Boiling Point: 360 °C(lit.); 360°C; 360°C
• Density: 1.060
• Absorption Wavelength: λmax 303 nm
• Fluorescence: λex 302 nm; λem 362 nm in ethanol

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: RP6825000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H413
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0%; ≥99.0% (TLC); 95+%; 97%; 98%; 99%
• Grade: puriss.
• Suitability: suitable for liquid scintillation spectrometry; suitable for scintillation
• Empirical Formula (Hill Notation): C15H11NO

DETAILS

MP Biomedicals - 05205650

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02195155

Crystalline
Scintillation grade.
Suitable for liquid scintillation spectrometry.

Sigma Aldrich - D210404

Packaging
25, 100, 500 g in poly bottle

Sigma Aldrich - 43140

Quantity
λmax. 303 nm, mol. absorption: 27540 (in cyclohexanel)

REFERENCES

• For scintillation work.