4,4'-Dinitro-2,2'-bipyridine - ≥98% , CAS No.18511-72-3

CAS: 18511-72-3 Cat. No.: D587816 Molecular Weight: 246.18 EC Number: 848-243-9

GRADE & PURITY ≥98%

Synonyms

4,4/'-DINITRO-2,2/'-BIPYRIDINE | H10609 | 2,2'-Bipyridine, 4,4'-dinitro- | DTXSID00467932 | W-201663 | FT-0696142 | MFCD06657644 | AKOS016010705 | C10H6N4O4 | SY260344 | 4,4'-DINITRO-2,2'-BIPYRIDINE | 4,4-dinitro-2,2-Bipyridine | SCHEMBL826630 | 4-nitro-2

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4, 4/'-DINITRO-2, 2/'-BIPYRIDINE | H10609 | 2, 2'-Bipyridine, 4, 4'-dinitro- | DTXSID00467932 | W-201663 | FT-0696142 | MFCD06657644 | AKOS016010705 | C10H6N4O4 | SY260344 | 4, 4'-DINITRO-2, 2'-BIPYRIDINE | 4, 4-dinitro-2, 2-Bipyridine | SCHEMBL826630 | 4-nitro-2

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CN=C(C=C1[N+](=O)[O-])C2=NC=CC(=C2)[N+](=O)[O-]
• IUPAC Name: 4-nitro-2-(4-nitropyridin-2-yl)pyridine
• InChIKey: ULRVNIRBWWMQJT-UHFFFAOYSA-N
• INCHI: 1S/C10H6N4O4/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12-10/h1-6H
• Isomeric SMILES: C1=CN=C(C=C1[N+](=O)[O-])C2=NC=CC(=C2)[N+](=O)[O-]
• Molecular Weight: 246.18
• Reaxy-Rn: 247216
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=247216&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Nitroaromatic compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Nitroaromatic compound - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Chemical and Physical Properties

• Molecular Weight: 246.180 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 246.039 Da
• Monoisotopic Mass: 246.039 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 295.000
• 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