3-Iodo-2-nitropiridina - ≥98% , CAS No.54231-34-4

CAS: 54231-34-4 Cat. No.: I193844 Fórmula: C₅H₃IN₂O₂ Peso molecular: 249.99

GRADE & PURITY ≥98%

Storage

Armazenar a 2-8°C,Protegido da luz,Carregado com árgon

Shipped In

Gelo húmido

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C,Protegido da luz,Carregado com árgon

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508809064

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809064

Sorrisos canónicos

C1=CC(=C(N=C1)[N+](=O)[O-])I

IUPAC Name

3-iodo-2-nitropyridine

InChIKey

LOKURQBFRJDSOB-UHFFFAOYSA-N

INCHI

1S/C5H3IN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H

SMILES isoméricas

C1=CC(=C(N=C1)[N+](=O)[O-])I

Peso molecular

249.99

Reaxy-Rn

1637074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1637074&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: Pyridines and derivatives Imidolactams Aryl iodides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Aryl halide - Aryl iodide - Pyridine - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organoiodide - Organic oxide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - 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

• Sensibilidade: Light sensitive
• Peso molecular: 249.990 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 249.924 Da
• Monoisotopic Mass: 249.924 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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