2,6-Difluoro carbonitrile
2,6-Difluorobenzonitrile
CAS: 1897-52-5
Molecular Formula: C7H3F2N
2,6-Difluoro carbonitrile - Names and Identifiers
| Name | 2,6-Difluorobenzonitrile |
| Synonyms | 2,6-DIFLUOROBENZONIT 6-Difluorobenzonitrile 2,6-Difluorobenzonitrle 2,6-Difluorobenzonitril 2,6-Difluorobenzonitrole 2,6-Difluorobenzonitrile 2,6-Difluoro carbonitrile p-Phenylenediamine(1,4-Phenylenediamine) |
| CAS | 1897-52-5 |
| EINECS | 217-589-7 |
| InChI | InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
2,6-Difluoro carbonitrile - Physico-chemical Properties
| Molecular Formula | C7H3F2N |
| Molar Mass | 139.1 |
| Density | 1.246 g/mL at 25 °C (lit.) |
| Melting Point | 25-28 °C (lit.) |
| Boling Point | 197-198 °C |
| Flash Point | 176°F |
| Water Solubility | 1.87g/L at 19.85℃ |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 18Pa at 20℃ |
| Appearance | Solid |
| Color | Off-White Low Melting |
| BRN | 2045292 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.4875(lit.) |
| Physical and Chemical Properties | Melting point 30-32°C boiling point 197-198°C refractive index 1.4875 flash point 80°C |
| Use | Is a new type of pesticide intermediates, mainly used for the production of high efficiency, low toxicity, broad-spectrum containing benzamide pesticides, in engineering plastics, dyes and other aspects of the application |
2,6-Difluoro carbonitrile - Risk and Safety
| 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. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3439 |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29269095 |
| Hazard Note | Toxic |
| Hazard Class | 6.1 |
| Packing Group | III |
2,6-Difluoro carbonitrile - Reference Information
| LogP | 1.9 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2, 6-difluorobenzonitrile is a specific insect growth regulator, it is an essential intermediate of benzamide pesticides such as difenuron and dinuron, usually 2, 6-difluorobenzonitrile as raw material, using polyethylene glycol as catalyst, N,N-dimethylformamide, 2, 6-difluorobenzonitrile was synthesized by Fluorination with dimethyl sulfoxide and sulfolane as solvent and potassium fluoride as alkali metal fluoride. |
| Use | 2, 6-difluorobenzonitrile is an important intermediate in the synthesis of benzoylurea insecticides, for the synthesis of the next Intermediate 2,6-difluorobenzamide, and finally get the varieties of pesticides such as fluifolide, difenuron, fluorididinuron, lice and mite urea. 2, 6-difluorobenzonitrile is a new pesticide intermediate, which is mainly used to produce 2, 6-difluorobenzamide, an intermediate of fluorine-containing benzoylurea insecticides and herbicides with high efficiency, low toxicity and broad spectrum. In medicine has also been applied. is a new pesticide intermediate, mainly used in the production of high efficiency, low toxicity, broad-spectrum pesticide containing benzamide, in engineering plastics, dyes and other aspects of the application |
| production method | 2, 2, 6-difluorobenzonitrile can be obtained by high temperature fluorination of 6-dichlorobenzonitrile with anhydrous potassium fluoride in an aprotic polar solvent. Approximately 1.2 of t2, 6-dichlorobenzonitrile is consumed for the production of 1 t2, 6-difluorobenzonitrile. The preparation method is fluorination of 2, 6-dichlorobenzonitrile to obtain 2,6-difluorobenzonitrile. The optional solvent is N-methylpyrrolidone, γ-butyrolactone, sulfolane, dimethyl sulfoxide, N,N-dimethylformamide and the like, and the catalyst is a quaternary ammonium salt phase transfer catalyst. Preparation example: 86G (0.5mol) of 2, 6-dichlorobenzonitrile, 87g (1.5mol) of anhydrous potassium fluoride, 90ml of dimethylformamide and 600g of PEG -1 were added to a dry reaction flask, stir at 150-160 °c for 10H. Cool to room temperature, add equal volume of water, separate the organic layer, the aqueous layer is extracted with 150ml of ether for 3 times, combine the organic layer, wash with water, dry anhydrous sodium sulfate, recover the solvent, vacuum distillation, get 2, 6-difluorobenzonitrile. In addition, 2, 6-difluorobenzonitrile can also be obtained by fluorination from 2-chloro-6-nitrobenzonitrile. |
Last Update：2024-04-09 15:16:45
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