1-(2-chlorophenyl)cyclopropane-1-carboxylic acid


Chemical Name: 1-(2-chlorophenyl)cyclopropane-1-carboxylic acid
CAS Number: 122143-19-5
Product Number: AG0016TX(AGN-PC-03YAAT)
Synonyms:
MDL No:
Molecular Formula: C10H9ClO2
Molecular Weight: 196.6303

Identification/Properties


Computed Properties
Molecular Weight:
196.63g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
196.029g/mol
Monoisotopic Mass:
196.029g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
223
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(2-Chlorophenyl)cyclopropanecarboxylic acid is a versatile compound commonly employed in chemical synthesis for its unique properties and reactivity. Due to the presence of both a cyclopropane ring and a chlorophenyl group, this compound serves as a valuable building block in the creation of a wide range of organic molecules.Its cyclopropane ring offers a strained structure that can participate in various cycloaddition reactions, allowing for the formation of complex ring systems with high stereochemical control. Additionally, the chlorophenyl group provides an anchor for further functionalization through traditional organic transformations such as nucleophilic substitution, oxidation, or reduction reactions.In the realm of drug discovery and development, 1-(2-Chlorophenyl)cyclopropanecarboxylic acid has been utilized as a key intermediate in the synthesis of pharmacologically active compounds. Its structural features enable medicinal chemists to modulate the properties of the final drug candidate, such as enhancing potency, improving metabolic stability, or increasing selectivity for a target receptor.Furthermore, in the area of materials science, this compound finds application as a precursor in the preparation of advanced polymers, catalysts, or ligands. By harnessing its unique structure as a starting point, researchers can design and access novel materials with tailored properties for specific applications in fields ranging from electronics to biotechnology.Overall, the strategic incorporation of 1-(2-Chlorophenyl)cyclopropanecarboxylic acid in chemical synthesis paves the way for the construction of intricate organic molecules with diverse functionalities and applications.