Molecular Formula | C9H7NO |
Molar Mass | 145.16 |
Density | 1.1555 (rough estimate) |
Melting Point | 46-48°C |
Boling Point | 264.27°C (rough estimate) |
Storage Condition | Inert atmosphere,Room Temperature |
Refractive Index | 1.4500 (estimate) |
Hazard Symbols | Xn - Harmful |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
UN IDs | 3439 |
Hazard Class | IRRITANT |
overview | aromatic nitrile compounds such as 2-acetylbenzonitrile are a very important kind of organic synthesis intermediates, which are widely found in medicines, pesticides, herbicides, pesticides, dyes, spices and natural products. Such as 2, 4-dinitro-6-cyanoaniline, which can be used to make excellent bright blue diazo dyes, and limononitrile, a new international nitrile flavor with sharp and strong lemon flavor. In addition, cyano group is a kind of functional group containing carbon-nitrogen triple bond, with short bond length, relatively small volume (about 1/8 of methyl) and strong polarity and strong electron absorption. Therefore, cyano group is a good hydrogen bond receptor, which can penetrate deep into the target protein to form strong hydrogen bond interaction with key amino acids in the active site; at the same time, cyano group is also widely used in pharmaceutical chemistry research due to its metabolic stability in activity research and bioelectronics as functional groups such as hydroxyl and carboxyl groups, which can enhance the interaction between small drug molecules and target proteins. For example, anti-HIV drug Etravirine, anti-gout drug Febuxostat, anti-tumor drug Letrozole and antidepressant Citalopram all have aromatic nitrile as an important functional group of the drug molecule. In addition, the cyano group can also undergo a variety of functional group transformations to form other important organic compounds, such as carboxylic acids, aldehydes, ketones, amides, amines, tetrazoles and other nitrogen heterocyclic compounds. |