5-Bromo-2-nitropyridine - ≥99% , CAS No.39856-50-3

CAS: 39856-50-3 Cat. No.: B121644 Summenformel: C₅H₃BrN₂O₂ Molekulargewicht: 203.00 Beilstein Registry Number: 120878 EG-Nummer: 609-748-8

GRADE & PURITY ≥99%

Synonyms

5-bromo-2-nitro pyridine | AM20051151 | 2-Nitro-5-bromo pyridine | 3-bromo-6-nitro pyridine | 2-Nitro-5-bromopyridine | AC-3148 | DTXSID20355827 | HY-59228 | EN300-80262 | SY004047 | 5-Bromo-2-nitropyridine, 99% | FT-0602431 | 5-bromo-2-nitropyridin | AKO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

5-bromo-2-nitro pyridine | AM20051151 | 2-Nitro-5-bromo pyridine | 3-bromo-6-nitro pyridine | 2-Nitro-5-bromopyridine | AC-3148 | DTXSID20355827 | HY-59228 | EN300-80262 | SY004047 | 5-Bromo-2-nitropyridine, 99% | FT-0602431 | 5-bromo-2-nitropyridin | AKO

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488191514

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191514

Kanonisches Lächeln

C1=CC(=NC=C1Br)[N+](=O)[O-]

IUPAC Name

5-bromo-2-nitropyridine

InChIKey

ATXXLNCPVSUCNK-UHFFFAOYSA-N

INCHI

1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H

Isomere SMILES

C1=CC(=NC=C1Br)[N+](=O)[O-]

WGK Deutschland

3

Alternative CAS-Nummer

39856-50-3

MeSH-Eintrag

5-bromo-2-nitropyridine

Molekulargewicht

203.00

Beilstein

120878

Reaxy-Rn

120878

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: 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 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: Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organobromide - Organic oxide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 150°C
• Molekulargewicht: 202.990 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 201.938 Da
• Monoisotopic Mass: 201.938 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