4-Acetylbenzonitrile
ALDRICH/154393 - 99%
Synonym: 4′-Cyanoacetophenone
CAS Number: 1443-80-7
Empirical Formula (Hill Notation): C9H7NO
Molecular Weight: 145.16
EC Number: 215-885-0
MDL Number: MFCD00001825
Linear Formula: CH3COC6H4CN
Product Type: Chemical
12 Principles of Green Chemistry: Principle 2—Atom Economy. This product was designed to maximize the incorporation of all raw materials used in the manufacturing process.
12 Principles of Green Chemistry: Principle 7—A raw material or feedstock should be renewable rather than depleting whenever technically and economically practicable.
12 Principles of Green Chemistry: Principle 12—Inherently Safer Chemistry for Accident Prevention. This product utilizes safer chemistry to minimize the potential for chemical accidents, including releases, explosions and fires.
| assay | 99% |
| form | solid |
| functional group | ketone |
| nitrile | |
| greener alternative category |  , Re-engineered |
| 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 . |
| greener alternative product score | old score: 18 new score: 3 Find out more about DOZN™ Scoring |
| InChI | 1S/C9H7NO/c1-7(11)9-4-2-8 |
| InChI key | NLPHXWGWBKZSJC-UHFFFAOYSA |
| mp | 56-59 °C (lit.) |
| Quality Level | 100 |
| SMILES string | CC(=O)c1ccc(cc1)C#N |
| sustainability | Greener Alternative Product |
| Application: | 4-Acetylbenzonitrile was used in the synthesis of imidazole derivatives. |
| General description: | The relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed. |
| General description: | 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. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 99% |
| mp | 56-59 °C (lit.) |
| UNSPSC | 12352100 |