2-(4-Biphenylyl)-6-phenylbenzoxazole (PBBO) - ≥98% , CAS No.17064-47-0

CAS: 17064-47-0 Cat. No.: B121498 Peso molecular: 347.41 Beilstein Registry Number: 1222425 Número EC: 241-125-2

GRADE & PURITY ≥98%

Synonyms

2-(4-Biphenylyl)-6-phenylbenzoxazole, BioReagent, suitable for scintillation, >=98.0% (TLC) | Oprea1_507347 | 2-(4-Biphenylyl)-6-phenyl-1,3-benzoxazole | 2-[1,1'-Biphenyl]-4-yl-6-phenyl-1,3-benzoxazole # | SCHEMBL590701 | WISWLZYHZLVSMO-UHFFFAOYSA-N | Ben

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Utilized as a scintillator reagent

Specifications

Sinónimos

2-(4-Biphenylyl)-6-phenylbenzoxazole, BioReagent, suitable for scintillation, >=98.0% (TLC) | Oprea1_507347 | 2-(4-Biphenylyl)-6-phenyl-1, 3-benzoxazole | 2-[1, 1'-Biphenyl]-4-yl-6-phenyl-1, 3-benzoxazole # | SCHEMBL590701 | WISWLZYHZLVSMO-UHFFFAOYSA-N | Ben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)C5=CC=CC=C5
• IUPAC Name: 6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazole
• InChIKey: WISWLZYHZLVSMO-UHFFFAOYSA-N
• INCHI: 1S/C25H17NO/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)25-26-23-16-15-22(17-24(23)27-25)19-9-5-2-6-10-19/h1-17H
• Isómeros SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)C5=CC=CC=C5
• WGK Alemania: 3
• Peso molecular: 347.41
• Beilstein: 1222425
• Reaxy-Rn: 1222425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1222425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenyl-1,3-oxazoles Benzoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Phenyl-1,3-oxazole - Benzoxazole - Azole - Oxazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 198-199°C
• Peso molecular: 347.400 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 347.131 Da
• Monoisotopic Mass: 347.131 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 459.000
• 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