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2,4-Pyridinedicarbonitrile - 97%, high purity , CAS No.29181-50-8
Basic Description
Synonyms
2,4-Dicyanopyridine | 2,4-Pyridinedicarbonitrile, 97% | FT-0638837 | J-524112 | SCHEMBL995799 | YSWG444 | EINECS 249-492-0 | methyl?4-cyclopropylbenzoate | HJ2X384UBJ | AKOS015892293 | Pyridine-2,4-dicarbonitrile | UNII-HJ2X384UBJ | 2,4-Pyridinedicarbonit
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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
Pubchem Sid
504756828
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756828
IUPAC Name
pyridine-2,4-dicarbonitrile
INCHI
InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H
InChIKey
HLAGQMFURMNTLW-UHFFFAOYSA-N
Smiles
C1=CN=C(C=C1C#N)C#N
Isomeric SMILES
C1=CN=C(C=C1C#N)C#N
WGK Germany
3
PubChem CID
120144
Molecular Weight
129.12
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
129.120 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
129.033 Da
Monoisotopic Mass
129.033 Da
Topological Polar Surface Area
60.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
203.000
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
Citations of This Product
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1 Citations
L1812155