2,4-dibromo-5-nitropiridina - ≥97% , CAS No.4487-57-4

CAS: 4487-57-4 Cat. No.: D176509 Fórmula: C₅H₂Br₂N₂O₂ Peso molecular: 281.89 Número CE: 860-395-8

GRAU & PUREZA ≥97%

Synonyms

DTXSID30582728 | DS-13615 | EN300-250000 | RZZGFCFQBVRQSX-UHFFFAOYSA-N | SY025608 | 2,4-bis(bromanyl)-5-nitro-pyridine | FT-0658689 | MFCD09832226 | SCHEMBL482094 | A826689 | AKOS015891773 | SB11988 | AM62471 | 2,4-DIBROMO-5-NITROPYRIDINE | 2,4-dibromo-5-

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Especificações

Sinónimos

DTXSID30582728 | DS-13615 | EN300-250000 | RZZGFCFQBVRQSX-UHFFFAOYSA-N | SY025608 | 2,4-bis(bromanyl)-5-nitro-pyridine | FT-0658689 | MFCD09832226 | SCHEMBL482094 | A826689 | AKOS015891773 | SB11988 | AM62471 | 2,4-DIBROMO-5-NITROPYRIDINE | 2,4-dibromo-5-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

528755455

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755455

Sorrisos canónicos

C1=C(C(=CN=C1Br)[N+](=O)[O-])Br

IUPAC Name

2,4-dibromo-5-nitropyridine

InChIKey

RZZGFCFQBVRQSX-UHFFFAOYSA-N

INCHI

1S/C5H2Br2N2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H

SMILES isoméricas

C1=C(C(=CN=C1Br)[N+](=O)[O-])Br

Peso molecular

281.89

Reaxy-Rn

1426120

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1426120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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

Propriedades químicas e físicas

• Peso molecular: 281.890 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 281.846 Da
• Monoisotopic Mass: 279.848 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 161.000
• 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