154393

4-Acetylbenzonitrile

99%

• Synonym(s): 4′-Cyanoacetophenone
• Linear Formula: CH₃COC₆H₄CN
• CAS Number: 1443-80-7
• Molecular Weight: 145.16
• Beilstein: 1932887
• EC Number: 215-885-0
• MDL number: MFCD00001825
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849437
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: solid
• greener alternative product score: old score: 18; new score: 3; Find out more about DOZN™ Scoring
• greener alternative product characteristics: Atom Economy; Design for Energy Efficiency; Use of Renewable Feedstocks; Inherently Safer Chemistry for Accident Prevention; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• mp: 56-59 °C (lit.)
• functional group: ketone; nitrile
• greener alternative category: , Re-engineered
• SMILES string: CC(=O)c1ccc(cc1)C#N
• InChI: 1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
• InChI key: NLPHXWGWBKZSJC-UHFFFAOYSA-N

Description

General description

The relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed.

We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product belongs to category of Re-engineered products, showing key improvements in Green Chemistry Principles “Atom economy”, “Design for Energy Efficiency”, “Use of Renewable Feedstock” and “Inherently Safer Chemistry for Accident Prevention”. Click here to view its DOZN scorecard.

Application

4-Acetylbenzonitrile was used in the synthesis of imidazole derivatives.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312
• Precautionary Statements: P264 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364 - P501
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves