[2,2'-Bipyridine]-4,4'-diyldiphosphonic acid - ≥97% , CAS No.194800-56-1

CAS: 194800-56-1 Cat. No.: B728591 Molecular Weight: 316.14

GRADE & PURITY ≥97%

Synonyms

4,4'-bis(dihydroxyphosphoryl)-2,2'-bipyridine | [2-(4-phosphonopyridin-2-yl)pyridin-4-yl]phosphonic acid | [2,2'-Bipyridine]-4,4'-diylbis(phosphonic acid)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4, 4'-bis(dihydroxyphosphoryl)-2, 2'-bipyridine | [2-(4-phosphonopyridin-2-yl)pyridin-4-yl]phosphonic acid | [2, 2'-Bipyridine]-4, 4'-diylbis(phosphonic acid)

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 528755085
• Canonical Smiles: C1=CN=C(C=C1P(=O)(O)O)C2=NC=CC(=C2)P(=O)(O)O
• IUPAC Name: [2-(4-phosphonopyridin-2-yl)pyridin-4-yl]phosphonic acid
• InChIKey: MQBIGZBUVUVDKE-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O6P2/c13-19(14,15)7-1-3-11-9(5-7)10-6-8(2-4-12-10)20(16,17)18/h1-6H,(H2,13,14,15)(H2,16,17,18)
• Isomeric SMILES: C1=CN=C(C=C1P(=O)(O)O)C2=NC=CC(=C2)P(=O)(O)O
• Molecular Weight: 316.14

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: Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Heteroaromatic compound - Organophosphonic acid derivative - Organophosphonic acid - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - 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

• Sensitivity: light sensitive；air sensitive
• Molecular Weight: 316.140 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 316.001 Da
• Monoisotopic Mass: 316.001 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 395.000
• 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