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Cadion 2B - Analytical Reagent, high purity , CAS No.6708-61-8
Basic Description
Synonyms
CADION 2B | 6708-61-8 | 1-Triazene, 1-(4-nitro-1-naphthalenyl)-3-[4-(phenylazo)phenyl]- | N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenylaniline | XEO4Q15KZI | NSC-66472 | 1-Triazene, 1-(4-nitro-1-naphthalenyl)-3-(4-(phenylazo)phenyl)- | NSC66472 | NSC 66472 | UNII-X
Specifications & Purity
AR
Storage Temp
Room temperature
Shipped In
Normal
Grade
AR
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azobenzenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azobenzenes
Alternative Parents
Nitronaphthalenes Phenylhydrazines Nitroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azobenzene - 1-nitronaphthalene - Naphthalene - Nitroaromatic compound - Phenylhydrazine - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
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
N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenylaniline
INCHI
InChI=1S/C22H16N6O2/c29-28(30)22-15-14-21(19-8-4-5-9-20(19)22)26-27-25-18-12-10-17(11-13-18)24-23-16-6-2-1-3-7-16/h1-15H,(H,25,26)
InChIKey
XXHDVJVLFBXOGN-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=NC3=CC=C(C4=CC=CC=C43)[N+](=O)[O-]
Isomeric SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=NC3=CC=C(C4=CC=CC=C43)[N+](=O)[O-]
PubChem CID
81202
Molecular Weight
396.41
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
175℃
Molecular Weight
396.400 g/mol
XLogP3
6.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Exact Mass
396.133 Da
Monoisotopic Mass
396.133 Da
Topological Polar Surface Area
107.000 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
607.000
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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