2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole - ≥95% , CAS No.19542-05-3

CAS: 19542-05-3 Cat. No.: B587937 Peso molecular: 380.03

GRADE & PURITY ≥95%

Synonyms

F18319 | A880144 | SCHEMBL2245998 | 1,3,4-Oxadiazole, 2,5-bis(4-bromophenyl)- | MFCD00020715 | 2,5-Di-[4-bromophenyl]-1,3,4-oxadiazole | 1,3,4-Oxadiazole,2,5-bis(4-bromophenyl)- | NSC90297 | NSC-90297 | BS-25453 | 2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole #

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

F18319 | A880144 | SCHEMBL2245998 | 1, 3, 4-Oxadiazole, 2, 5-bis(4-bromophenyl)- | MFCD00020715 | 2, 5-Di-[4-bromophenyl]-1, 3, 4-oxadiazole | 1, 3, 4-Oxadiazole, 2, 5-bis(4-bromophenyl)- | NSC90297 | NSC-90297 | BS-25453 | 2, 5-Bis(4-bromophenyl)-1, 3, 4-oxadiazole #

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Br)Br
• IUPAC Name: 2,5-bis(4-bromophenyl)-1,3,4-oxadiazole
• InChIKey: HGPVZVIPOXMTJD-UHFFFAOYSA-N
• INCHI: 1S/C14H8Br2N2O/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Br)Br
• Peso molecular: 380.03
• Reaxy-Rn: 241373
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=241373&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Peso molecular: 380.030 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 379.898 Da
• Monoisotopic Mass: 377.9 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 261.000
• 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

1. Xiao Yang, Lian Duan, Xiaoqi Ran, Shixiong Yi.  (2021)  Conjugated microporous polymer bearing 1,3,4-oxadiazole and thienyl moieties for decomposition of organic dyes under visible light.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2021.105051]