CAS 6136-68-1

3-Acetylbenzonitrile

Description:

3-Acetylbenzonitrile, with the CAS number 6136-68-1, is an organic compound that features both an acetyl group and a nitrile group attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It has a molecular formula of C10H7NO, indicating the presence of ten carbon atoms, seven hydrogen atoms, one nitrogen atom, and one oxygen atom. The compound is characterized by its aromatic structure, which contributes to its stability and reactivity. 3-Acetylbenzonitrile is known for its applications in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It can undergo various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, making it a versatile intermediate in synthetic chemistry. Additionally, it may exhibit moderate solubility in organic solvents, while its physical properties can vary based on environmental conditions. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₉H₇NO

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

InChI key: InChIKey=SBCFGFDAZCTSRH-UHFFFAOYSA-N

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

Synonyms:

• (2Z)-3-[2-(4-chlorophenyl)ethyl]-2-[(3-chlorophenyl)imino]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
• 1-(3-Cyanophenyl)ethanone
• 3-Acetyl-benzonitrile
• 3′-Cyanoacetophenone
• Benzonitrile, 3-acetyl-
• Benzonitrile, m-acetyl-
• NSC 210360
• m-Acetylbenzonitrile
• m-Cyanoacetophenone
• 3-Acetylbenzonitrile

3'-Cyanoacetophenone

CAS: 6136-68-1

Formula: C₉H₇NO

Purity: >98.0%(GC)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 145.16

Ref: 3B-C1993

3-Acetylbenzonitrile, 97+%

CAS: 6136-68-1

Preparation of (q2-2-Acetyl-4-cyanophenyl)tetra- carbonylmanganese by Reaction of 3-Acetylbenzonitrile with Benzylpentacarbonylmanganese. Four aromatic amidoximes were synthesized by reacting hydroxylamine with 1,3 -dicyanobenzene, 1,4- dicyanobenzene, 3-acetylbenzonitrile, and 4-acetylbenzonitril

Formula: C₉H₇NO

Purity: 97+%

Color and Shape: White to cream or pale yellow to pale brown, Powder

Molecular weight: 145.16

Ref: 02-A10841

3-Acetylbenzonitrile

CAS: 6136-68-1

Formula: C₉H₇NO

Purity: 97%

Color and Shape: Solid

Molecular weight: 145.1580

Ref: IN-DA003ITF

3-Acetylbenzonitrile

CAS: 6136-68-1

3-Acetylbenzonitrile

Purity: 98%

Color and Shape: Off-White Solid

Molecular weight: 145.16g/mol

Ref: 54-OR18369

3-Acetylbenzonitrile

CAS: 6136-68-1

Formula: C₉H₇NO

Purity: 97%

Color and Shape: Solid

Molecular weight: 145.161

Ref: 10-F001255

3-Acetylbenzonitrile

CAS: 6136-68-1

3-Acetylbenzonitrile is an isomeric, asymmetric synthesis that has been synthesised in the presence of copper complex and salicylic acid. The reaction was carried out with a gaseous phase, where the chalcone was formed. The experimental techniques used were cross-coupling reactions and molecular modeling techniques. 3-Acetylbenzonitrile has been synthesised by a rationalized enthalpic approach that includes alcohol dehydrogenases and molecular modeling techniques.

Formula: C₉H₇NO

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 145.16 g/mol

Ref: 3D-FA33577