CAS 50793-85-6

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester

Description:

Benzoic acid, 4-hexyl-, 4-cyanophenyl ester, identified by its CAS number 50793-85-6, 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 hexyl group and a cyanophenyl group, contributing to its unique properties. Typically, esters like this one exhibit moderate polarity, which influences their solubility in various solvents; they are often soluble in organic solvents but less so in water. The presence of the hexyl chain suggests a degree of hydrophobicity, while the cyanophenyl moiety may impart specific electronic properties, potentially affecting its reactivity and interactions with other molecules. Benzoic acid derivatives are known for their applications in various fields, including pharmaceuticals, fragrances, and as intermediates in organic synthesis. The compound's stability, melting point, boiling point, and reactivity would depend on its molecular structure and the specific conditions under which it is used or studied.

Formula: C₂₀H₂₁NO₂

InChI: InChI=1S/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3

InChI key: InChIKey=DEUWEGPRKHPNKB-UHFFFAOYSA-N

SMILES: O(C(=O)C1=CC=C(CCCCCC)C=C1)C2=CC=C(C#N)C=C2

Synonyms:

• 4-Cyanophenyl 4-hexylbenzoate
• Benzoic acid, 4-hexyl-, 4-cyanophenyl ester
• p-Cyanophenyl p-hexylbenzoate
• p-Cyanophenyl-p-n-hexyl benzoate
• 4-Cyanophenyl 4-n-hexylbenzoate

4-Cyanophenyl 4-n-hexylbenzoate, 99%

CAS: 50793-85-6

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₂₀H₂₁NO₂

Purity: 99%

Color and Shape: White, Crystals or powder or crystalline powder

Molecular weight: 307.39

Ref: 02-B22471

4-Cyanophenyl 4-n-hexylbenzoate

CAS: 50793-85-6

Formula: C₂₀H₂₁NO₂

Color and Shape: Solid

Molecular weight: 307.3862

Ref: IN-DA003L9D

4-Cyanophenyl 4-Hexylbenzoate

CAS: 50793-85-6

4-Cyanophenyl 4-Hexylbenzoate

Purity: 99%

Molecular weight: 307.39g/mol

Ref: 54-OR1011524