3-Acetylbenzonitrile, 97+%

Description

CAS: 6136-68-1 | C9H7NO | 145.16 g/mol

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-acetylbenzonitrile. Darzens condensation of 3-acetylbenzonitrile provided aldehyde.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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-acetylbenzonitrile. Darzens condensation of 3-acetylbenzonitrile provided aldehyde.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 6136-68-1
• Molecular Formula: C9H7NO
• Molecular Weight (g/mol): 145.16
• MDL Number: MFCD00001806
• InChI Key: SBCFGFDAZCTSRH-UHFFFAOYSA-N
• Synonym: m-cyanoacetophenone, 3'-cyanoacetophenone, benzonitrile, 3-acetyl, 3-cyanoacetophenone, 3-acetyl-benzonitrile, unii-tsj72034p9, 3-acetylbenzenecarbonitrile, m-acetylbenzonitrile, 3-acetyl benzonitrile, pubchem12649
• PubChem CID: 80222
• IUPAC Name: 3-acetylbenzonitrile
• SMILES: CC(=O)C1=CC=CC(=C1)C#N

• Melting Point: 97°C to 101°C
• Boiling Point: 120°C (5 mmHg)
• Quantity: 25 g
• UN Number: UN3439
• Beilstein: 2079629
• Solubility Information: Insoluble in water.
• Formula Weight: 145.16
• Percent Purity: ≥97%
• Chemical Name or Material: 3-Acetylbenzonitrile

Safety and Handling

Hazard Category	H302+H312+H332-H315-H319-H335-H500
Hazard Statement	GHS H Statement H331-H302-H312-H315-H319-H335 Toxic if inhaled. Harmful if swallowed. Harmful in contact with skin. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
EINECSNumber	228-110-6
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only