CAS 6609-57-0

2-Ethoxybenzonitrile

Description:

2-Ethoxybenzonitrile, with the CAS number 6609-57-0, is an organic compound that belongs to the class of aromatic nitriles. It features a benzene ring substituted with an ethoxy group (-OCH2CH3) and a nitrile group (-CN) at the ortho position. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is characterized by its aromatic nature, which contributes to its stability and reactivity. The presence of the nitrile group imparts polar characteristics, making it soluble in polar solvents while being less soluble in non-polar solvents. 2-Ethoxybenzonitrile is often used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Its reactivity can be attributed to the electron-withdrawing nature of the nitrile group, which can influence electrophilic substitution reactions on the aromatic ring. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested.

Formula: C₉H₉NO

InChI: InChI=1S/C9H9NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2H2,1H3

InChI key: InChIKey=DXTLCLWOCYLDHL-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 2-ethoxy-
• Benzonitrile, o-ethoxy-
• o-Ethoxybenzonitrile
• 2-Ethoxybenzonitrile

2-Ethoxybenzonitrile

CAS: 6609-57-0

Formula: C₉H₉NO

Purity: >98.0%(GC)

Color and Shape: Light yellow to Yellow to Orange clear liquid

Molecular weight: 147.18

Ref: 3B-E0968

2-Ethoxybenzonitrile

CAS: 6609-57-0

Formula: C₉H₉NO

Purity: 95%

Color and Shape: Liquid

Molecular weight: 147.1739

Ref: IN-DA003H6A

2-Ethoxybenzonitrile

CAS: 6609-57-0

2-Ethoxybenzonitrile

Formula: C₉H₉NO

Purity: >98%

Molecular weight: 147.17385

Ref: 54-OR350161

2-Ethoxybenzonitrile

CAS: 6609-57-0

2-Ethoxybenzonitrile is a non-natural molecule that is synthesized from the reaction of aniline and ethyl bromide. The reactants are heated together in the presence of an acid catalyst to form 2-ethoxybenzonitrile. 2-Ethoxybenzonitrile has been used as a research chemical in pharmaceutical research because it can be substituted for other molecules, such as benzene or nitro compounds, with similar physical properties. This synthetic compound has been shown to have a constant boiling point and melting point, which is desirable for use in molecular modeling studies. The molecule also has two isosteres that can be used in its place: dimethoxybenzene and diphenyl ether. 2-Ethoxybenzonitrile has been shown to react with purines by forming a C(2)-N bond. These reactions are catalyzed by nitro compounds, which act as electron donors. The mechanism of these reactions is

Formula: C₉H₉NO

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 147.17 g/mol

Ref: 3D-FE36952

2-Ethoxybenzonitrile

CAS: 6609-57-0

2-Ethoxybenzonitrile

Formula: C₉H₉NO

Purity: 95%

Molecular weight: 147.17

Ref: IN-DG22072

2-Ethoxybenzonitrile

CAS: 6609-57-0

Formula: C₉H₉NO

Purity: 98%

Color and Shape: Liquid, Clear

Molecular weight: 147.177

Ref: 10-F018661