4-Fluoro-2-methylbenzonitrile
4-Fluoro-2-methylbenzonitrile
CAS: 147754-12-9
Molecular Formula: C8H6FN
4-Fluoro-2-methylbenzonitrile - Names and Identifiers
| Name | 4-Fluoro-2-methylbenzonitrile |
| Synonyms | 4-Fluoro-2-methylben Methyl-4-fluorobenzonitrile 4-Fluoro-2-methylbenzonitrile 4-FLUORO-2-METHYLBENZONITRILE 2-Methy-4-Fluoro benzonitrile 2-METHYL-4-FLUOROBENZONITRILE 4-bromo-1,1-difluorobut-1-ene Benzonitrile, 4-fluoro-2-methyl- Benzonitrile, 4-fluoro-2-methyl- (9CI) 4-Fluoro-o-tolunitrile, 2-Cyano-5-fluorotoluene |
| CAS | 147754-12-9 |
| InChI | InChI=1/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3 |
| InChIKey | BJBXUIUJKPOZLV-UHFFFAOYSA-N |
4-Fluoro-2-methylbenzonitrile - Physico-chemical Properties
| Molecular Formula | C8H6FN |
| Molar Mass | 135.14 |
| Density | 1.11±0.1 g/cm3(Predicted) |
| Melting Point | 70-74 °C (lit.) |
| Boling Point | 214.6±20.0 °C(Predicted) |
| Flash Point | 90°C |
| Vapor Presure | 0.154mmHg at 25°C |
| Appearance | Yellow solid |
| Color | White to Almost white |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.507 |
| MDL | MFCD03095106 |
| Physical and Chemical Properties | WGK Germany:3 |
4-Fluoro-2-methylbenzonitrile - Risk and Safety
| Risk Codes | 36/37/38 - 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. |
| UN IDs | UN3439 |
| WGK Germany | 3 |
| HS Code | 29269090 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
4-Fluoro-2-methylbenzonitrile - Reference Information
| introduction | 4-fluoro-2-methylbenzonitrile has a melting point of 70 to 74 degrees, a boiling point of 214.6±20.0 °C at 760 mmHg, a density of 1.1, and a white to light yellow crystalline powder under normal temperature and pressure. 4-Fluoro-2-methylbenzonitrile is soluble in common organic solvents, such as dimethyl sulfoxide, N,N-dimethylformamide, dichloromethane, ethyl acetate, chloroform; but in water The solubility is poor and it is a common organic synthesis intermediate. |
| Use | 4-fluoro-2-methylbenzonitrile is a common organic synthesis intermediate. First of all, for fluorine atoms, it can be coupled It is converted into aryl groups and other functional groups. In addition, the cyano group is also a group that is easy to be derivatized, which can be further converted into ester group, amide, amino group and other functional groups. Through the synergistic combination of these reactions to control the order and selectivity of conversion, 4-fluoro-2-methylbenzonitrile can be used as a basic raw material to synthesize various 1,2, 5-trisubstituted benzene ring derivatives. |
| Synthesis method | For the synthesis of 4-fluoro-2-methylbenzonitrile, the conventional synthesis method currently queried is from 4-fluoro-2-Methylbenzyl alcohol starts, oxidizes the benzyl alcohol group through the combination of copper and oxygen, and then adds an amine source to convert it into a cyano group. In addition, there is a route using 2-bromo-5-fluorotoluene as the starting material, and the target product is obtained through a one-step aromatic nucleophilic substitution reaction. Due to the strong electron-withdrawing ability of the fluorine atom, the bromine atom can be replaced by cyano anions., And then generate the target product. |
Last Update：2024-04-09 02:00:07
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