Benzonitrile, 3-hydrazino-


Chemical Name: Benzonitrile, 3-hydrazino-
CAS Number: 17672-26-3
Product Number: AG0024V5(AGN-PC-0K5Y3K)
Synonyms:
MDL No:
Molecular Formula: C7H7N3
Molecular Weight: 133.1506

Identification/Properties


Computed Properties
Molecular Weight:
133.154g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
133.064g/mol
Monoisotopic Mass:
133.064g/mol
Topological Polar Surface Area:
61.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
146
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H301+H311+H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Hydrazinylbenzonitrile is a versatile compound used in organic chemical synthesis. This compound serves as a key building block in the preparation of various biologically active compounds and pharmaceuticals. Its unique structure containing both a hydrazine group and a benzonitrile moiety allows for the formation of diverse chemical bonds and functional groups.In chemical synthesis, 3-Hydrazinylbenzonitrile is commonly employed as a nucleophilic reagent in the formation of hydrazones, which are important intermediates in the synthesis of hydrazide derivatives. This compound can also undergo condensation reactions with carbonyl compounds to yield hydrazone derivatives, which find applications in medicinal chemistry for the development of potential drug candidates.Furthermore, 3-Hydrazinylbenzonitrile can participate in cycloaddition reactions to generate heterocyclic compounds such as pyrazoles and pyridazines. These heterocycles display a wide range of biological activities and are utilized in the pharmaceutical industry for the synthesis of various drugs.Overall, the strategic use of 3-Hydrazinylbenzonitrile in chemical synthesis enables the construction of complex molecular structures with potential medicinal properties, making it a valuable tool for organic chemists and drug discovery researchers.