2-Fluorobenzonitrile
2-Fluorobenzonitrile
CAS: 394-47-8
Molecular Formula: C7H4FN
2-Fluorobenzonitrile - Names and Identifiers
| Name | 2-Fluorobenzonitrile |
| Synonyms | NSC 88278 2-Fluorbenzonitril O-Fluorobenzonitile 2-Fluorobenzonitrile 2-CYANOFLUOROBENZENE O-FLUOROBENZONITRILE 2-Fluorocyanobenzene o-Cyanofluorobenzene 2-Fluorobenzenenitrile 2-Fluorophenyl Cyanide Benzonitrile, o-fluoro- Nitrile o-fluorobenzene A nitrile o-fluorobenzene FluorobenzonitrileFLUOROBENZONITRILE o-Fluorobenzonitrile 2-Fluorobenzonitrile 2,2,3,3,3-pentafluoro-1-phenylpropan-1-one |
| CAS | 394-47-8 |
| EINECS | 206-897-7 |
| InChI | InChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
| InChIKey | GDHXJNRAJRCGMX-UHFFFAOYSA-N |
2-Fluorobenzonitrile - Physico-chemical Properties
| Molecular Formula | C7H4FN |
| Molar Mass | 121.11 |
| Density | 1.116g/mLat 25°C(lit.) |
| Melting Point | -13.7 °C |
| Boling Point | 90°C21mm Hg(lit.) |
| Flash Point | 165°F |
| Water Solubility | Insoluble |
| Solubility | Chloroform |
| Vapor Presure | 0.46mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to light brownish |
| BRN | 2042184 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.505(lit.) |
| Physical and Chemical Properties | Boiling Point: 90 at 21mm Hg density: 1.116 flash point: 73 ℃ |
| Use | Used as pharmaceutical, pesticide intermediates |
2-Fluorobenzonitrile - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36 - Wear suitable protective clothing. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29269095 |
| Hazard Note | Toxic |
| Hazard Class | IRRITANT, IRRITANT-H |
| Packing Group | III |
2-Fluorobenzonitrile - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 2-fluorobenzonitrile, also called o-fluorobenzonitrile, is an organic aromatic fluoride. Organic aromatic fluoride is an important raw material and intermediate for the preparation of fluorine-containing physiologically active substances, and has a wide range of applications in medicine, pesticides, dyes, etc. In terms of medicine, fluorine-containing compounds have the characteristics of less dosage, strong selectivity, and high efficacy compared with other compounds; in terms of dyes, after the introduction of fluorine atoms, the dye has the advantages of bright color and not easy to fade. |
| preparation method | 6.88g(50mmol) o-chlorobenzonitrile, 11.6g(200mmol)KF,20ml sulfolane, 2.1g(5mmol) tetraphenylphosphorus bromide are sequentially added into a microwave reactor, heated at 300W power, GC tracks the reaction, ends the reaction when the raw material content is less than 5%, and stops the reaction after reacting at 180 ℃ for 4 hours under microwave action, the reaction liquid is cooled to room temperature, the insoluble solid is filtered by vacuum extraction, and the filtrate is distilled under vacuum to obtain 4.56g of 2-fluorobenzonitrile, and the final yield is 74.6%. |
| uses | 2-fluorobenzonitrile is an organic synthesis intermediate and a pharmaceutical intermediate, mainly used in laboratory research and development and chemical and pharmaceutical synthesis. |
Last Update：2024-04-09 02:00:05
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