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 Peso molecular: 364.40 Beilstein Registry Number: 325741 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

BioReagent, suitable for scintillation

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5
• WGK Alemania: 2
• Peso molecular: 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
    • Clase Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 242-246°C
• Peso molecular: 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

Referencias

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2. Mingzhu Hu, Yumeng Wang, Shengpeng Hu, Zongpeng Wang, Bi Du, Yanjun Peng, Jiawei Yang, Yunjie Shi, Dongdong Chen, Xi Chen, Ziwen Zhuang, Zhixun Wang, Xi Chen, Jiecheng Yang, Yongshuai Ge, Eyu Wang, Quan Wen, Shuang Xiao, Ming Ma, Weimin Li, Jie Zhang, De Ning, Lei Wei, Chunlei Yang, Ming Chen.  (2023)  A pixelated liquid perovskite array for high-sensitivity and high-resolution X-ray imaging scintillation screens.  Nanoscale,  15  (38): (15635-15642).  [PMID:37721742] [10.1039/D3NR02841K]

3. Hu Yichen, Ma Jiaju, Liu Tonghuan, Zhang Yongjie, Yu Yuhong, Sun Zhiyu, Fang Fang, Dong Tianhao, Zhao Yanhong, Zhou Gen.  (2023)  Preparation and characterization of plastic scintillators with different proportions.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,  332  (4): (1047-1054).  [PMID:] [10.1007/s10967-022-08748-6]

4. Xingyan Pang, Jiaoyang Li, Pengfei Xu, Wenjun Yang, Lei Huang, Sufen Zhang, Zhiyang Yu, Qingfu Ye.  (2022)  Environmental fate and metabolism of the systemic triazolinthione fungicide prothioconazole in different aerobic soils.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37055988] [10.1016/j.jhazmat.2022.130583]

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