2,5-Dibromo-3-nitropyridine - ≥98% , CAS No.15862-37-0

CAS: 15862-37-0 Cat. No.: W131769 Formula: C₅H₂Br₂N₂O₂ Peso molecolare: 281.89 Numero EC: 808-084-8 PubChem CID: 298470

GRADE & PURITY ≥98%

Synonyms

2,5-Dibromo-3-nitro-pyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2,5-Dibromo-3-nitro-pyridine

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488189362

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189362

Sorrisi canonici

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

IUPAC Name

2,5-dibromo-3-nitropyridine

InChIKey

OQKWPJCAKRVADO-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

PubChem CID

298470

Peso molecolare

281.89

Reaxy-Rn

147552

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 Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Nitroaromatic compound - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organobromide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 94 °C
• Peso molecolare: 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