Benzoic acid, 4-nitrophenyl ester|959-22-8,AngeneChemical

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Benzoic acid, 4-nitrophenyl ester

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Chemical Name:	Benzoic acid, 4-nitrophenyl ester
CAS Number:	959-22-8
Product Number:	AG003LVV(AGN-PC-0JL9NZ)
Synonyms:
MDL No:
Molecular Formula:	C13H9NO4
Molecular Weight:	243.21486

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Properties

MP:

142-144°C

BP:

399.5±25.0 °C(Predicted)

Form:

Solid

Computed Properties

Molecular Weight:

243.218g/mol

XLogP3:

3.4

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

243.053g/mol

Monoisotopic Mass:

243.053g/mol

Topological Polar Surface Area:

72.1A^2

Heavy Atom Count:

Formal Charge:

Complexity:

299

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

N/A

Signal Word:

UN#:

Hazard Statements:

Precautionary Statements:

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

4-Nitrophenyl benzoate is a versatile chemical compound commonly employed in chemical synthesis for its reactivity and structural properties. Its application extends to various sectors within the field of chemistry, particularly in the creation of new molecules and materials.One key application of 4-Nitrophenyl benzoate is as a building block in organic synthesis. It serves as a valuable precursor for the preparation of various derivatives through chemical reactions such as nucleophilic substitution and esterification. By harnessing its unique structure, chemists can design and synthesize complex organic compounds with tailored properties and functionalities.Furthermore, 4-Nitrophenyl benzoate plays an essential role in the development of pharmaceuticals and agrochemicals. Its strategic incorporation in molecular structures can enhance biological activity or modify physicochemical properties, potentially leading to the discovery of new therapeutic agents or crop protection products.In addition, the chemical reactivity of 4-Nitrophenyl benzoate makes it a valuable tool in the study of reaction mechanisms and kinetics. By investigating its behavior under various conditions, researchers can gain insights into chemical transformations and explore new synthetic routes for the creation of novel molecules.Overall, 4-Nitrophenyl benzoate serves as a fundamental building block in chemical synthesis, enabling the creation of diverse compounds with applications across different sectors of the chemical industry. Its versatility and utility make it a valuable asset for chemists seeking to push the boundaries of innovation and discovery in the field of organic chemistry.