3-Acetylbenzonitrile, 97+%

Product Code.	Quantity	unitSize
11429812	25 g	25g
11419812	5 g	5g
11439812	100 g	100g

Product Code. 11429812 Supplier Thermo Scientific Alfa Aesar Supplier No. A10841.14

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

Product Identifier

• 3-Acetylbenzonitrile

Signal Word

• Warning

Hazard Category

• Acute toxicity Category 4
• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H302-Harmful if swallowed.
• H312-Harmful in contact with skin.
• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H332-Harmful if inhaled.
• H335-May cause respiratory irritation.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P301+P312-IF SWALLOWED: Call a POISON CENTER or doctor/physician/ if you feel unwell.
• P302+P352-IF ON SKIN: Wash with plenty of water/soap.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Supplemental information

• MIXTURE LIST-Contain: 3-Acetylbenzonitrile

SDS

RUO – Research Use Only