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Perfluoropyridazine - ≥97%, high purity , CAS No.7627-80-7
Basic Description
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridazines and derivatives
Alternative Parents
Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridazine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four 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
IUPAC Name
3,4,5,6-tetrafluoropyridazine
INCHI
InChI=1S/C4F4N2/c5-1-2(6)4(8)10-9-3(1)7
InChIKey
WZGAMTYFRMRZNL-UHFFFAOYSA-N
Smiles
C1(=C(C(=NN=C1F)F)F)F
Isomeric SMILES
C1(=C(C(=NN=C1F)F)F)F
Alternate CAS
7627-80-7
PubChem CID
139055
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
152.050 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
152 Da
Monoisotopic Mass
152 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
108.000
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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