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CAS 38690-76-5

:

Benzoic acid, 4-heptyl-, 4-cyanophenyl ester

Description:
Benzoic acid, 4-heptyl-, 4-cyanophenyl ester, with the CAS number 38690-76-5, is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and an alcohol. This compound features a heptyl chain, contributing to its hydrophobic properties, and a cyanophenyl group, which introduces polar characteristics due to the presence of the cyano group. The molecular structure suggests that it may exhibit both lipophilic and hydrophilic behavior, making it potentially useful in various applications, including as a surfactant or in organic synthesis. Its physical properties, such as melting point, boiling point, and solubility, would be influenced by the length of the heptyl chain and the presence of the cyano group. Additionally, the compound may exhibit biological activity, which could be of interest in pharmaceutical research. Safety data should be consulted for handling and potential hazards associated with this chemical.
Formula:C21H23NO2
InChI:InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3
InChI key:InChIKey=ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
SMILES:O(C(=O)C1=CC=C(CCCCCCC)C=C1)C2=CC=C(C#N)C=C2
Synonyms:
  • 4-Cyanophenyl 4′-n-heptylbenzoate
  • 4-Heptyl-4′-cyanophenyl benzoate
  • 4-n-Heptylbenzoic acid 4-Cyanophenyl ester
  • Benzoic acid, 4-heptyl-, 4-cyanophenyl ester
  • L 7Cn
  • Ro CE 154
  • ZhK 489
  • p-Cyanophenyl p-heptylbenzoate
  • p-Cyanophenyl p-n-heptylbenzoate
  • 4-Cyanophenyl 4-heptylbenzoate
  • 4′-Cyanophenyl 4-heptylbenzoate
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