91054-33-0

Basic information

• Product Name: 2-ACETYLBENZENECARBONITRILE
• Synonyms: 2'-CYANOACETOPHENONE;2-ACETYLBENZENECARBONITRILE;2-ACETYLBENZONITRILE;Benzonitrile,2-acetyl-;Benzonitrile, 2-acetyl- (9CI)
• CAS NO: 91054-33-0
• Molecular Formula: C₉H₇NO
• Molecular Weight: 145.16
• Product Categories: NITRILE;ACETYLGROUP;Aromatic Nitriles
• Mol File: 91054-33-0.mol
• Article Data: 19

Chemical Properties

• Melting Point: 46-48°C
• Boiling Point: 264.27°C (rough estimate)
• Flash Point: 126.2 °C
• Appearance: /
• Density: 1.1555 (rough estimate)
• Vapor Pressure: 0.00286mmHg at 25°C
• Refractive Index: 1.4500 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: 2-ACETYLBENZENECARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ACETYLBENZENECARBONITRILE(91054-33-0)
• EPA Substance Registry System: 2-ACETYLBENZENECARBONITRILE(91054-33-0)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39
• RIDADR: 3439
• HazardClass: IRRITANT
• Hazardous Substances Data: 91054-33-0(Hazardous Substances Data)

Usage

General Description

2-Acetylbenzenecarbonitrile is a chemical compound with the molecular formula C10H7NO. It is a white to off-white solid that is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 2-ACETYLBENZENECARBONITRILE is a nitrile, which means it contains a carbon triple-bonded to a nitrogen atom. It is also an acetyl derivative of benzonitrile, meaning it has an acetyl group (CH3CO) attached to a benzene ring with a nitrile group (CN) also attached. 2-Acetylbenzenecarbonitrile is a versatile compound with a wide range of applications in the chemical industry.

InChI:InChI=1/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3

Upstream product

• 2142-69-0 2-bromophenyl methyl ketone 
• 34136-59-9 o-ethylbenzonitrile 
• 557-21-1 zinc(II) cyanide 
• 2142-68-9 1-(2-chlorophenyl)ethanone 
• 6213-94-1 trimethylsiloxyethene 
• 4387-36-4 2-iodobenzonitrile 
• 551-93-9 2-aminoacetophenone 
• 138313-23-2 2-<(trifluoromethanesulfonyl)oxy>benzonitrile 
• 140-29-4 phenylacetonitrile 
• 110-86-1 pyridine 
• 91-22-5 quinoline 
• 25851-21-2 2-acetyl-benzoic acid amide 
• 10026-13-8 phosphorus pentachloride 
• 153083-57-9 1-Benzotriazol-1-yl-1-(tributyl-λ⁵-phosphanylidene)-propan-2-one 

Downstream Products

• 25851-21-2 2-acetyl-benzoic acid amide 
• 1363508-16-0 (S)-2-(1-hydroxyethyl)benzonitrile 
• 1076195-46-4 (R)-2-(1-hydroxyethyl)benzonitrile 
• 88122-94-5 4-methyl-1-phenylisoquinoline 
• 23877-63-6 2-(1-methylvinyl)benzonitrile 
• 3839-22-3 2-cyanobenzoic acid 
• 33084-09-2 2-Methyl-2'-cyan-chalkon 
• 33084-10-5 4-Methoxy-2'-cyan-chalkon 
• 6941-96-4 4-methyl-2-phenylphthalazin-1(2H)-one 

Relevant articles and documents

A Serendipitous One-Pot Cyanation/Hydrolysis/Enamide Formation: Direct Access to 3-Methyleneisoindolin-1-ones

A direct, one-pot conversion of 2’-haloacetophenones to 3-methyleneisoindolin-1-one scaffolds using CuCN as the sole reagent without the need for moisture-free or anaerobic conditions is reported. This serendipitously discovered transformation with a broa

Preparation method of aromatic nitrile compound or heteroaromatic nitrile compound

The invention discloses a preparation method of an aromatic nitrile compound or a heteroaromatic nitrile compound. The preparation method comprises: under the protection of an inert gas, in a solvent,under the actions of a nickel catalyst, a ligand, metal zinc and an additive, carrying out a reaction on a cyanation reagent and halogenated aromatic hydrocarbon or halogenated heteroaromatic hydrocarbon. According to the present invention, by using the inexpensive and easily-available nickel catalyst and the ligand, the halogenated aromatic hydrocarbon or halogenated heteroaromatic hydrocarbon,especially the chlorinated aromatic hydrocarbon or chlorinated heteroaromatic hydrocarbon with characteristics of low price, easy obtaining and low reaction activity can mildly and efficiently react with the cyanation reagent with low toxicity to prepare the aromatic nitrile compound or heteroaromatic nitrile compound; and the preparation method has advantages of simple operation, mildness, high efficiency and the like, and further has characteristics of good functional group compatibility, good universality of substrate and the like.

Microwave-assisted one-step synthesis of acetophenones via palladium-catalyzed regioselective arylation of vinyloxytrimethylsilane

The regiochemistry of the palladium-mediated arylation (Heck arylation) of enol ethers is sensitive to the structure of the enol ether, the arylating agent and the catalytic system. In this study, an effective and practical method was successfully developed for the synthesis of acetophenones with high regioselectivity under palladium-catalyzed conditions. A variety of acetophenones was readily prepared from aryl iodides in good to excellent yields under microwave irradiation in a single step. The key feature of our new protocol is the use of vinyloxytrimethylsilane as a highly regioselective acylation reagent. Copyright