2,5-Diphenyloxazole（DPO） - Scintillation Pure, ≥99% , CAS No.92-71-7

CAS: 92-71-7 Cat. No.: D100606 Molecular Weight: 221.25 Beilstein Registry Number: 157021 EC Number: 202-181-3

GRADE & PURITY Scintillation Pure, ≥99%

Synonyms

DPO, PPO | NSC49168 | NSC-49168 | NSC 24856 | NSC24856 | NSC-24856 | A844321 | STL071303 | 2P8A647RYF | AS-14429 | UNII-2P8A647RYF | Tritosol | 2,5-Diphenyloxazole | 2,5-diphenyl-oxazole | 2,5-Diphenyloxazole, 99%, suitable for scintillation | 4-27-00-014

Storage

Room temperature

Shipped In

Normal

Overview

Product Introduction

2,5-Diphenyloxazole (PPO) is an oxazole that can be used as a scintillator and a laser dye. It has fluorescence at a wavelength of 375 nm. It can be used as a wavelength shifter in liquid samples due to their high quantum yield and large strokes shift.

Application

PPO can be used as a dopant that improves the photo-electric feedback of plastic scintillators which are used as radiation detectors for nuclear materials. It can be coated on peptide substrates to facilitate radioactive labelling which can enable determination of substrate specificity of lysine methyltransferase enzymes. It may also be used in the fabrication of organic luminescent materials which can be used in light emitting diodes (LEDs).

Specifications

Synonyms

DPO, PPO | NSC49168 | NSC-49168 | NSC 24856 | NSC24856 | NSC-24856 | A844321 | STL071303 | 2P8A647RYF | AS-14429 | UNII-2P8A647RYF | Tritosol | 2, 5-Diphenyloxazole | 2, 5-diphenyl-oxazole | 2, 5-Diphenyloxazole, 99%, suitable for scintillation | 4-27-00-014

Specifications & Purity

Scintillation Pure, ≥99%

Storage

Room temperature

Shipped In

Normal

Grade

Scintillation Pure

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180289
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180289
• Canonical Smiles: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3
• IUPAC Name: 2,5-diphenyl-1,3-oxazole
• InChIKey: CNRNYORZJGVOSY-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3
• WGK Germany: 3
• RTECS: RP6825000
• Molecular Weight: 221.25
• Beilstein: 157021
• Reaxy-Rn: 157021
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=157021&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: 2,5-disubstituted oxazoles Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - 2,5-disubstituted 1,3-oxazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Boil Point(°C): 360°C
• Melt Point(°C): 72°C
• Molecular Weight: 221.250 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.084 Da
• Monoisotopic Mass: 221.084 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 231.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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