Benzenepropanoic acid, 4-hydroxy-3-nitro-|38196-09-7,AngeneChemical

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Benzenepropanoic acid, 4-hydroxy-3-nitro-

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Chemical Name:	Benzenepropanoic acid, 4-hydroxy-3-nitro-
CAS Number:	38196-09-7
Product Number:	AG00BZIM(AGN-PC-0KKVZC)
Synonyms:
MDL No:
Molecular Formula:	C9H9NO5
Molecular Weight:	211.1715

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

Properties

Storage:

Room Temperature;

Form:

Solid

Computed Properties

Molecular Weight:

211.173g/mol

XLogP3:

1.8

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

211.048g/mol

Monoisotopic Mass:

211.048g/mol

Topological Polar Surface Area:

103A^2

Heavy Atom Count:

Formal Charge:

Complexity:

249

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:

Signal Word:

Warning

UN#:

Hazard Statements:

H302+H312+H332-H315-H319-H335

Precautionary Statements:

P261-P280-P305+P351+P338

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

The compound 3-(4-Hydroxy-3-nitrophenyl)propanoic acid, also known as $name$, plays a crucial role in chemical synthesis as a versatile building block. Its unique structure containing both a phenol and nitro group allows for a variety of reactions and functionalization pathways.One important application of 3-(4-Hydroxy-3-nitrophenyl)propanoic acid in chemical synthesis is its role as a key intermediate in the synthesis of pharmaceutical compounds and agrochemicals. By utilizing its functional groups, chemists can easily modify the molecule to introduce different pharmacophores or bioactive moieties, ultimately leading to the development of novel drugs or pesticides.Additionally, this compound can be employed in the preparation of dyes and pigments due to its potential for forming colored complexes or undergoing diazonium coupling reactions. Its ability to undergo various transformations, such as reduction, oxidation, or substitution, makes it a valuable tool in the toolbox of synthetic chemists seeking to create new and innovative chemical products.Moreover, 3-(4-Hydroxy-3-nitrophenyl)propanoic acid can also serve as a building block in the synthesis of advanced materials like polymers or specialty chemicals. Its versatility in reacting with different reagents opens up a wide range of possibilities for tailoring the properties of the final material, such as solubility, mechanical strength, or thermal stability.In conclusion, the diverse applications of 3-(4-Hydroxy-3-nitrophenyl)propanoic acid in chemical synthesis highlight its importance as a valuable intermediate for creating a wide array of compounds across various industries, from pharmaceuticals to materials science.