1,4-Bis(5-phenyl-2-oxazolyl)benzene(POPOP) - BioReagent, suitable for scintillation , CAS No.1806-34-4

CAS: 1806-34-4 Cat. No.: B755443 Molecular Weight: 364.40 Beilstein Registry Number: 325741 EC Number: 217-304-6

GRADE & PURITY BioReagent, suitable for scintillation

Synonyms

1,4-Di(5-phenyl-2-oxazolyl)benzene | 2,2′-p-Phenylene-bis(5-phenyloxazole) | Di(phenyl-5-oxazolyl-2)-1,4-benzene

Storage

Room temperature

Shipped In

Normal

Overview

1,4-Bis(5-phenyl-2-oxazolyl) benzene, also known as POPOP, is a well-known scintillation luminophore. It is an efficient fluorescent organic compound with high stokes shift. The POPOP dye is photostable in polar protic and polar aprotic solvents. The resulting photochemical quantum yield and the photodecomposition rate depend on the solvent′s electron affinity.

Application:

1,4-Bis(5-phenyl-2-oxazolyl) benzene or POPOP is widely used to detect radioactivity by scintillation counting.

Specifications

Synonyms

1, 4-Di(5-phenyl-2-oxazolyl)benzene | 2, 2′-p-Phenylene-bis(5-phenyloxazole) | Di(phenyl-5-oxazolyl-2)-1, 4-benzene

Specifications & Purity

BioReagent, suitable for scintillation

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5
• IUPAC Name: 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
• InChIKey: MASVCBBIUQRUKL-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5
• WGK Germany: 2
• Molecular Weight: 364.40
• Beilstein: 325741
• Reaxy-Rn: 325741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=325741&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: 1,3-oxazoles

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

• Melt Point(°C): 242-246°C
• Molecular Weight: 364.400 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 364.121 Da
• Monoisotopic Mass: 364.121 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 437.000
• 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

References

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