1H-Indazole, 1-acetyl-5-nitro-


Chemical Name: 1H-Indazole, 1-acetyl-5-nitro-
CAS Number: 13436-55-0
Product Number: AG003DWN(AGN-PC-041ANO)
Synonyms:
MDL No:
Molecular Formula: C9H7N3O3
Molecular Weight: 205.1702

Identification/Properties


Properties
BP:
403.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
205.173g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
205.049g/mol
Monoisotopic Mass:
205.049g/mol
Topological Polar Surface Area:
80.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
289
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(5-Nitro-1H-indazol-1-yl)ethanone is a versatile compound that finds widespread application in chemical synthesis. This compound serves as a valuable building block for the preparation of various organic molecules due to its unique structural features and reactivity. In particular, 1-(5-Nitro-1H-indazol-1-yl)ethanone is commonly used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.When used in chemical reactions, this compound undergoes various transformations that enable the introduction of different functional groups, allowing for the synthesis of diverse molecular structures. The nitro group present in 1-(5-Nitro-1H-indazol-1-yl)ethanone can serve as a versatile handle for further modifications, such as reduction or substitution reactions, leading to the formation of complex organic compounds.Overall, the utility of 1-(5-Nitro-1H-indazol-1-yl)ethanone in chemical synthesis lies in its ability to act as a strategic precursor for the construction of valuable molecules with potential applications in the fields of medicine, agriculture, and materials science. Its role as a key intermediate highlights its importance in the synthesis of novel compounds with desired properties and functionalities.