25117-75-3

Basic information

• Product Name: 3-ETHOXYBENZONITRILE
• Synonyms: Benzonitrile, 3-ethoxy-;Benzonitrile, m-ethoxy-;3-ETHOXYBENZONITRILE;M-ETHOXYBENZONITRILE;3-ETHOXYBENZONITRILE 96%;3-Ethoxybenzonitrile(m-
• CAS NO: 25117-75-3
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.17
• EINECS: 246-632-2
• Product Categories: Aromatic Nitriles
• Mol File: 25117-75-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 241-244 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.047 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0435mmHg at 25°C
• Refractive Index: n20/D 1.529(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-ETHOXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ETHOXYBENZONITRILE(25117-75-3)
• EPA Substance Registry System: 3-ETHOXYBENZONITRILE(25117-75-3)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 25117-75-3(Hazardous Substances Data)

Usage

General Description

3-Ethoxybenzonitrile is a chemical compound with the molecular formula C9H9NO. It is a colorless to pale yellow liquid and is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. 3-Ethoxybenzonitrile is known for its strong and distinctive odor, and it is a versatile building block in organic chemistry. It is also used as a solvent in various industrial processes and as a reagent in organic synthesis. The compound has a wide range of applications due to its unique chemical properties and has attracted significant interest from researchers and industry professionals.

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

Upstream product

• 621-33-0 m-phenetidine 
• 55305-43-6 N-cyano-N-phenyl-p-toluenesulfonamide 
• 90555-66-1 (3-ethoxyphenyl)boronic acid 
• 2655-83-6 1-chloro-3-ethoxybenzene 
• 100-83-4 meta-hydroxybenzaldehyde 
• 22924-15-8 3-ethoxybenzaldehyde 
• 90943-37-6 3-ethoxybenzaldoxime 
• 873-62-1 m-cyanophenol 
• 75-03-6 ethyl iodide 

Downstream Products

• 109692-33-3 bis-(3-ethoxy-benzylidene)-hydrazine 
• 747411-11-6 3-ethoxy-thiobenzoic acid amide 
• 93071-76-2 (3-ethoxyphenyl)methanamine 

Relevant articles and documents

Improved schmidt conversion of aldehydes to nitriles using azidotrimethylsilane in 1,1,1,3,3,3-Hexafluoro-2-Propanol

The Schmidt reaction of aromatic aldehydes using a substoichiometric amount (40 mol %) of triflic acid is described. Low catalyst loading was enabled by a strong hydrogen-bond-donating solvent hexafluoro-2-propanol (HFIP). This improved protocol tolerates a broad scope of aldehydes with diverse functional groups and the corresponding nitriles were obtained in good to high yields without the need for aqueous work up.

A mild and efficient palladium-catalyzed cyanation of aryl chlorides with K4[Fe(CN)6]

An efficient palladium-catalyzed cyanation of aryl chlorides is established. In the presence of a highly effective Pd/CM-phos catalyst, cyanation of aryl chlorides proceeds at 70 °C in general, which is the mildest reaction temperature achieved so far for this process. Common functional groups such as keto, aldehyde, ester, nitrile and-NH2, and heterocyclic coupling partners including N-H indoles are well tolerated. Moreover, a sterically hindered nonactivated ortho,ortho-disubstituted electrophile is shown to be a feasible coupling partner in cyanation.

Design and synthesis of low molecular weight compounds with complement inhibition activity

An attempt was made to synthesize a series of non-cytotoxic low molecular weight compounds of varying substitutions and functionalities having pharmacophore activity like carbonyl compounds, carboxylic acid and bioisosteres like tetrazole and phenyl acrylic acid. The in vitro assay of these analogues for the inhibition of complement activity revealed significant inhibitory activity for varying substituents and, particularly, for bioisosteres, that is, tetrazole and phenyl acrylic acid derivatives.