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TETRAETHYL 2，2'-BIPYRIDINE-4，4'-BISPHOSPHONATE - ≥97%, high purity , CAS No.174397-53-6
Basic Description
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Phosphonic acid diesters Phosphonic acid esters Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bipyridine - Phosphonic acid diester - Phosphonic acid ester - Heteroaromatic compound - Organophosphonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen 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.
Names and Identifiers
IUPAC Name
4-diethoxyphosphoryl-2-(4-diethoxyphosphorylpyridin-2-yl)pyridine
INCHI
InChI=1S/C18H26N2O6P2/c1-5-23-27(21,24-6-2)15-9-11-19-17(13-15)18-14-16(10-12-20-18)28(22,25-7-3)26-8-4/h9-14H,5-8H2,1-4H3
InChIKey
BBFROMDCBUIPCU-UHFFFAOYSA-N
Smiles
CCOP(=O)(C1=CC(=NC=C1)C2=NC=CC(=C2)P(=O)(OCC)OCC)OCC
Isomeric SMILES
CCOP(=O)(C1=CC(=NC=C1)C2=NC=CC(=C2)P(=O)(OCC)OCC)OCC
Alternate CAS
174397-53-6
PubChem CID
9845451
Molecular Weight
428.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
428.400 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
11
Exact Mass
428.127 Da
Monoisotopic Mass
428.127 Da
Topological Polar Surface Area
96.800 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
496.000
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
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