CAS 2005-08-5

Benzoic acid, 4-chlorophenyl ester

Description:

Benzoic acid, 4-chlorophenyl ester, also known as 4-chlorobenzyl benzoate, is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and 4-chlorophenol. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its moderate solubility in organic solvents such as ethanol and ether, while being less soluble in water due to its hydrophobic aromatic structure. The presence of the chlorine atom in the para position of the phenyl ring can influence its reactivity and biological activity, often enhancing its lipophilicity. Benzoic acid, 4-chlorophenyl ester is utilized in various applications, including as a fragrance component in cosmetics and as an intermediate in organic synthesis. It is important to handle this compound with care, as it may pose health risks if ingested or inhaled, and appropriate safety measures should be observed during its use.

Formula: C₁₃H₉ClO₂

InChI: InChI=1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H

InChI key: InChIKey=JKSIXXOEIXUYFW-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(Cl)C=C1)(=O)C2=CC=CC=C2

Synonyms:

• Benzoic Acid 4-Chlorophenyl Ester
• Benzoic acid, p-chlorophenyl ester
• NSC 406605
• Phenol, p-chloro-, benzoate
• p-Chlorophenol benzoate
• p-Chlorophenyl benzoate

4-Chlorophenyl Benzoate

CAS: 2005-08-5

Formula: C₁₃H₉ClO₂

Purity: >99.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 232.66

Ref: 3B-B0063

Benzoic acid, 4-chlorophenyl ester

CAS: 2005-08-5

Formula: C₁₃H₉ClO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 232.6624

Ref: IN-DA002CTO

4-Chlorophenyl Benzoate

CAS: 2005-08-5

4-Chlorophenyl Benzoate

Purity: 98%

Molecular weight: 232.66g/mol

Ref: 54-OR1011515

4-CHLOROPHENYL BENZOATE

CAS: 2005-08-5

Formula: C₁₃H₉ClO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 232.66

Ref: 10-F470844

4-Chlorophenyl Benzoate

Controlled Product

CAS: 2005-08-5

Applications 4-Chlorophenyl Benzoate is used as a reagent in the synthesis of phenstatin analogs via Fries rearrangement and Friedel-Crafts reaction. These biaryl analogs are antitubulin compounds.
References Tozatti, C., et al.: Quim. Nova, 35, 1758 (2012)

Formula: C₁₃H₉ClO₂

Color and Shape: Neat

Molecular weight: 232.66

Ref: TR-C375180