Cas no 121697-55-0 (2-(3-Chlorobenzyl)oxybenzoic Acid)

2-(3-Chlorobenzyl)oxybenzoic Acid is a chlorinated aromatic compound featuring a benzoic acid core substituted with a 3-chlorobenzyloxy group. This structural configuration imparts unique reactivity and potential utility as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both carboxylic acid and chlorobenzyl functionalities allows for versatile derivatization, enabling further chemical modifications. Its well-defined molecular structure ensures consistent performance in synthetic pathways, while the chlorine substituent enhances stability and influences electronic properties. The compound is typically characterized by high purity, making it suitable for precision applications in research and industrial settings. Proper handling and storage are recommended due to its reactive nature.
2-(3-Chlorobenzyl)oxybenzoic Acid structure
121697-55-0 structure
Product Name:2-(3-Chlorobenzyl)oxybenzoic Acid
CAS No:121697-55-0
MF:C14H11ClO3
MW:262.688343286514
MDL:MFCD09714441
CID:1212895
PubChem ID:8707024
Update Time:2025-05-19

2-(3-Chlorobenzyl)oxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-[(3-chlorophenyl)methoxy]benzoic acid
    • ALBB-008995
    • 2-(3-Chlorobenzyloxy)benzoic acid
    • 2-{[(3-chlorophenyl)methyl]oxy}benzoic acid
    • SureCN1388211
    • AC1PC5D6
    • CTK6H2597
    • 2-[(3-chlorobenzyl)oxy]benzoic acid
    • BBL014110
    • MFCD09714441
    • W-205129
    • 2-((3-Chlorobenzyl)oxy)benzoic acid
    • SCHEMBL1388211
    • AKOS000199449
    • STK501022
    • DTXSID20429214
    • 2-((3-Chlorobenzyl)oxy)benzoicacid
    • 121697-55-0
    • VS-04185
    • 2-(3-Chlorobenzyl)oxybenzoic Acid
    • MDL: MFCD09714441
    • Inchi: 1S/C14H11ClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
    • InChI Key: ZZLXYZLVZBXJBY-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)COC1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 262.0396719g/mol
  • Monoisotopic Mass: 262.0396719g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 282
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 46.5?2

2-(3-Chlorobenzyl)oxybenzoic Acid Security Information

  • HazardClass:IRRITANT

2-(3-Chlorobenzyl)oxybenzoic Acid Pricemore >>

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Additional information on 2-(3-Chlorobenzyl)oxybenzoic Acid

2-(3-Chlorobenzyl)oxybenzoic Acid: A Comprehensive Overview

The compound 2-(3-Chlorobenzyl)oxybenzoic Acid, with the CAS number 121697-55-0, is a significant molecule in the field of organic chemistry. This compound is characterized by its unique structure, which combines a benzoic acid moiety with a 3-chlorobenzyl group through an ether linkage. The molecule's structure is defined by the presence of a benzene ring substituted with a hydroxyl group at the 2-position, which is further connected to a 3-chlorobenzyl group via an oxygen atom. This structural arrangement imparts distinctive chemical and physical properties to the compound, making it a subject of interest in various research domains.

Recent studies have highlighted the potential of 2-(3-Chlorobenzyl)oxybenzoic Acid in drug discovery and material science. Its ability to form stable complexes with metal ions has been explored in the context of developing new catalysts for organic synthesis. Additionally, researchers have investigated its role as a precursor in the synthesis of bioactive molecules, particularly those with potential anti-inflammatory and antioxidant properties. The compound's versatility in forming hydrogen bonds and its ability to participate in various types of chemical reactions make it a valuable building block in medicinal chemistry.

The synthesis of 2-(3-Chlorobenzyl)oxybenzoic Acid typically involves multi-step processes, including nucleophilic substitution, oxidation, and coupling reactions. One common approach involves the reaction of 3-chlorobenzyl alcohol with benzoic acid derivatives under specific conditions to form the ether linkage. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and improving the yield of the compound.

In terms of applications, 2-(3-Chlorobenzyl)oxybenzoic Acid has shown promise in the development of novel materials for electronic devices. Its ability to self-assemble into ordered structures has been leveraged in creating organic semiconductors with improved charge transport properties. Furthermore, its use as a ligand in metal-organic frameworks (MOFs) has been explored for applications in gas storage and catalysis.

The physical properties of 2-(3-Chlorobenzyl)oxybenzoic Acid are also worth noting. It exists as a crystalline solid under standard conditions, with a melting point of approximately 180°C. The compound is sparingly soluble in water but exhibits good solubility in organic solvents such as dichloromethane and ethyl acetate. Its UV-Vis spectrum reveals strong absorption bands corresponding to π→π* transitions, which are indicative of its aromatic nature.

In conclusion, 2-(3-Chlorobenzyl)oxybenzoic Acid, CAS number 121697-55-0, is a versatile compound with diverse applications across multiple fields. Its unique structure and chemical reactivity make it an invaluable tool in organic synthesis, drug discovery, and materials science. As research continues to uncover new potentials for this compound, its role in advancing scientific and technological frontiers is expected to grow significantly.

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