Cas no 62176-15-2 (5-chloro-2-propoxybenzoic Acid)

5-chloro-2-propoxybenzoic Acid structure
62176-15-2 structure
Product Name:5-chloro-2-propoxybenzoic Acid
CAS No:62176-15-2
MF:C10H11ClO3
MW:214.645542383194
MDL:MFCD02729207
CID:455457
PubChem ID:4350239
Update Time:2025-04-23

5-chloro-2-propoxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-chloro-2-propoxy-
    • 5-chloro-2-propoxybenzoic acid
    • 5-chloro-2-propoxybenzoic Acid
    • MDL: MFCD02729207
    • Inchi: 1S/C10H11ClO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
    • InChI Key: GOGHQODAPOZTFG-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=C(C(=O)O)C=1)OCCC

Computed Properties

  • Exact Mass: 214.03973

Experimental Properties

  • PSA: 46.53

5-chloro-2-propoxybenzoic Acid Pricemore >>

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Additional information on 5-chloro-2-propoxybenzoic Acid

Benzoic acid, 5-chloro-2-propoxy-

Benzoic acid, 5-chloro-2-propoxy-benzene, also known by its CAS number 62176-15-2, is a substituted aromatic carboxylic acid with unique structural and chemical properties. This compound belongs to the family of chlorinated benzoic acids and incorporates a propoxy group at the ortho position relative to the chlorine atom. Its structure makes it an interesting subject for research in various fields, including organic chemistry, pharmacology, and materials science.

The 5-chloro-2-propoxy-benzene carboxylic acid has gained attention due to its potential applications in medicinal chemistry. The presence of the chlorine atom at the meta position relative to the carboxylic acid group introduces electronic effects that can influence the compound's reactivity and biological activity. Similarly, the propoxy substituent adds steric and electronic complexity, which may modulate interactions with biological systems.

Recent studies have explored the biological activity of this compound, particularly in the context of its antimicrobial properties. Research published in 2023 has shown that 5-chloro-2-propoxy-benzoic acid exhibits significant bacterial growth inhibition against several strains of *E. coli* and *Staphylococcus aureus*. These findings suggest that the compound may serve as a potential lead in the development of novel antibiotics or antimicrobial agents.

Another area of interest is the chemical synthesis of 5-chloro-2-propoxy-benzoic acid. The compound can be synthesized via various routes, including the Friedel-Crafts alkylation followed by oxidation to the carboxylic acid. Its synthesis has been optimized in recent years, with studies focusing on improving yield, reducing reaction time, and minimizing the use of hazardous reagents.

Additionally, the compound's physical properties have been extensively studied. It has a melting point of approximately 145°C and is soluble in common organic solvents such as dichloromethane and ethyl acetate. These properties make it suitable for various crystallization studies and purification processes in organic chemistry.

In terms of toxicological evaluation, 5-chloro-2-propoxy-benzoic acid has been tested for its acute toxicity in animal models. Results indicate that the compound is relatively nontoxic at low doses, which aligns with its potential use in pharmaceutical formulations.

Recent advancements in computational chemistry have also contributed to understanding the behavior of 5-chloro-2-propoxy-benzoic acid. Molecular modeling studies have provided insights into its binding affinity to various biological targets, such as enzymes and receptors, which are crucial for drug discovery.

Moreover, the compound has been explored for its potential in nanomedicine applications. Its ability to form stable nanoparticles with certain polymers suggests that it could be used as a drug delivery system component.

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