3-Bromo-isoxazole - ≥97% , CAS No.111454-71-8

CAS: 111454-71-8 Cat. No.: B481858 Peso molecular: 147.96 Número EC: 808-475-3

GRADE & PURITY ≥97%

Synonyms

3-Bromo-isoxazole, AldrichCPR | AM802930 | BCP21100 | MFCD07778379 | 3-bromanyl-1,2-oxazole | Isoxazole, 3-bromo- | bromoisoxazole | bromo-isoxazole | SY009266 | 3-BROMOISOXAZOLE | 3-Bromo-isoxazole | SB30685 | DTXSID00552852 | J-002579 | 3-Bromo-1,2-oxaz

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3-Bromo-isoxazole, AldrichCPR | AM802930 | BCP21100 | MFCD07778379 | 3-bromanyl-1, 2-oxazole | Isoxazole, 3-bromo- | bromoisoxazole | bromo-isoxazole | SY009266 | 3-BROMOISOXAZOLE | 3-Bromo-isoxazole | SB30685 | DTXSID00552852 | J-002579 | 3-Bromo-1, 2-oxaz

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198555
• Sonrisas canónicas: C1=CON=C1Br
• IUPAC Name: 3-bromo-1,2-oxazole
• InChIKey: GQMPHUXGZCDVGQ-UHFFFAOYSA-N
• INCHI: 1S/C3H2BrNO/c4-3-1-2-6-5-3/h1-2H
• Isómeros SMILES: C1=CON=C1Br
• CAS alternativo: 111454-71-8
• Peso molecular: 147.96
• Reaxy-Rn: 21285168
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21285168&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
• 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: 147.960 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.932 Da
• Monoisotopic Mass: 146.932 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 50.100
• 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