3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole - ≥95% , CAS No.118183-92-9

CAS: 118183-92-9 Cat. No.: B179856 Peso molecular: 239.07

GRADE & PURITY ≥95%

Synonyms

3-(4-bromophenyl)-5-methyl-1,2,4oxadiazole | 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole | 1-bromo-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzene | AKOS015835650 | 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole, AldrichCPR | DTXSID50356408 | FT-0711744 | MFCD00487

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

3-(4-bromophenyl)-5-methyl-1, 2, 4oxadiazole | 3-(4-bromophenyl)-5-methyl-1, 2, 4-oxadiazole | 1-bromo-4-(5-methyl-1, 2, 4-oxadiazol-3-yl)benzene | AKOS015835650 | 3-(4-Bromophenyl)-5-methyl-1, 2, 4-oxadiazole, AldrichCPR | DTXSID50356408 | FT-0711744 | MFCD00487

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC(=NO1)C2=CC=C(C=C2)Br
• IUPAC Name: 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole
• InChIKey: YWBIOYGLRGIJRT-UHFFFAOYSA-N
• INCHI: InChI=1S/C9H7BrN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3
• Isómeros SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)Br
• Peso molecular: 239.07
• Reaxy-Rn: 153630
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153630&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles
        • Level5 1,2,4-oxadiazoles
          • Level6 Phenyloxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: 1,2,4-oxadiazoles
• Direct Parent: Phenyloxadiazoles
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-oxadiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN 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

• Peso molecular: 239.070 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.974 Da
• Monoisotopic Mass: 237.974 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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