CAS 1443-80-7

4-Acetylbenzonitrile

Description:

4-Acetylbenzonitrile, with the CAS number 1443-80-7, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both an acetyl group and a nitrile group. This compound typically appears as a white to light yellow crystalline solid. It has a molecular formula of C10H9N, indicating the presence of ten carbon atoms, nine hydrogen atoms, and one nitrogen atom. The acetyl group contributes to its reactivity, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. 4-Acetylbenzonitrile exhibits moderate solubility in organic solvents, such as ethanol and acetone, but is generally insoluble in water due to its hydrophobic aromatic structure. Its melting and boiling points can vary, reflecting its stability under different conditions. Additionally, it may undergo typical electrophilic aromatic substitution reactions, making it a valuable intermediate in organic synthesis. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested.

Formula: C₉H₇NO

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

InChI key: InChIKey=NLPHXWGWBKZSJC-UHFFFAOYSA-N

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

Synonyms:

• 1-(4-Cyanophenyl)ethanone
• 1-Acetyl-4-benzonitrile
• 4'-Cyanoacetophenonele
• 4-Cyanoacetophenone
• 4-Cyanophenyl methyl ketone
• 4-Cyanophenylmethylketone
• Benzonitrile, p-acetyl-
• Benzonitrile,4-acetyl-
• Methyl 4-cyanophenyl ketone
• Methyl p-cyanophenyl ketone
• Methylp-cyanophenylketone
• Paracyanoacetophenone
• p-Acetylbenzonitrile
• p-Cyanoacetophenone
• p-Cyanophenyl methyl ketone

4'-Cyanoacetophenone

CAS: 1443-80-7

Formula: C₉H₇NO

Purity: >97.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 145.16

Ref: 3B-C1141

Benzonitrile, 4-​acetyl-

CAS: 1443-80-7

Formula: C₉H₇NO

Purity: 95%

Color and Shape: Solid

Molecular weight: 145.1580

Ref: IN-DA001JAE

4-Acetylbenzonitrile

CAS: 1443-80-7

Formula: C₉H₇NO

Molecular weight: 145.16

Ref: 7W-GK3825

4-Acetylbenzonitrile

CAS: 1443-80-7

4-Acetylbenzonitrile

Formula: C₉H₇NO

Purity: ≥95%

Color and Shape: light beige crystalline powder

Molecular weight: 145.16g/mol

Ref: 54-OR30102

Isavuconazole Impurity 47

CAS: 1443-80-7

Formula: C₉H₇NO

Molecular weight: 145.16

Ref: 4Z-I-070049

4-Acetylbenzonitrile

CAS: 1443-80-7

4-Acetylbenzonitrile is a molecule that can be used as a model system for studying the interactions of molecules with other substances, such as antimicrobial agents. 4-Acetylbenzonitrile has been shown to have polarizability and thermodynamic properties similar to those of benzene and nitrobenzene. It is an acid complex with perchlorates, which are solid catalysts that can be used in the production of polyurethane foams. Dipole moment calculations indicate that 4-acetylbenzonitrile is not a good solvent for protons or hydroxide ions. The vibrational spectra show that this molecule has carbonyl groups with significant dipole moments.

Formula: C₉H₇NO

Purity: Min. 96 Area-%

Color and Shape: Powder

Molecular weight: 145.16 g/mol

Ref: 3D-FA00125

4-Acetylbenzonitrile

CAS: 1443-80-7

Formula: C₉H₇NO

Purity: 98%

Color and Shape: Solid

Molecular weight: 145.161

Ref: 10-F078587

p-Cyanoacetophenone

Controlled Product

CAS: 1443-80-7

Applications Used in the preparation of antimalarial isonitriles.
References Singh, C. et al.; Bioorgan. Med. Chem. Lett. 12, 2277 (2002)

Formula: C₉H₇NO

Color and Shape: Neat

Molecular weight: 145.16

Ref: TR-C987505