[4-(trifluoromethoxy)phenyl]hydrazine hydrochloride
4-Bromo-3-fluorobenzonitrile
CAS: 133059-44-6
Molecular Formula: C7H3BrFN
[4-(trifluoromethoxy)phenyl]hydrazine hydrochloride - Names and Identifiers
| Name | 4-Bromo-3-fluorobenzonitrile |
| Synonyms | 3-FLUORO-4-BROMOBENZONITRILE 4-Cyano-2-fluorobromobenzene 4-BROMO-3-FLUOROBENZONITRILE 4-Bromo-3-fluorobenzonitrile Benzonitrile, 4-bromo-3-fluoro- [4-(trifluoromethoxy)phenyl]hydrazine hydrochloride |
| CAS | 133059-44-6 |
| InChI | InChI=1/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H |
| InChIKey | QBKXYSXQKRNVRQ-UHFFFAOYSA-N |
[4-(trifluoromethoxy)phenyl]hydrazine hydrochloride - Physico-chemical Properties
| Molecular Formula | C7H3BrFN |
| Molar Mass | 200.01 |
| Density | 1.69±0.1 g/cm3(Predicted) |
| Melting Point | 54-58 C |
| Boling Point | 230.1±20.0 °C(Predicted) |
| Flash Point | 93°C |
| Vapor Presure | 0.067mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Almost white |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.577 |
[4-(trifluoromethoxy)phenyl]hydrazine hydrochloride - 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. R36 - Irritating to the eyes R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| Hazard Note | Toxic |
| Hazard Class | IRRITANT |
[4-(trifluoromethoxy)phenyl]hydrazine hydrochloride - Reference Information
| Introduction | 4-bromo-3-fluorobenzonitrile is white or very light yellow solid at normal temperature and pressure, it is a benzonitrile derivative, which is mainly used as an intermediate for advanced coatings, and is also an intermediate for the synthesis of pesticides, aliphatic amines and benzoic acid. |
| Use | 4-bromo-3-fluorobenzonitrile is an intermediate of medicinal chemistry and synthesis of pesticides, aliphatic amines, benzoic acid, in a synthetic transformation, the cyano group on the benzene ring can be readily converted to a carboxyl group, an amide, or completely reduced to an amino group. The bromine atom on the benzene ring can be subjected to a Suzuki coupling reaction in which an aryl group or an alkyl group is attached at the position of the bromine unit, and the bromine atom can be easily converted into a boron unit. |
| preparation method | potassium bromide, tetrabutylammonium bromide were added to the vacuum-dried reaction bottle under nitrogen atmosphere and zero degree, 18-crown 6 and dimethyl sulfoxide, stirring at room temperature to dissolve the reaction mixture, and then transfer the reaction mixture to a 135 degree oil bath for several hours, water and ethyl acetate were added to the reaction system, the water layer was separated, the water layer was extracted with ethyl acetate three times, the combined ethyl acetate layer was dried with anhydrous sodium sulfate, the sodium sulfate solid was removed by filtration through diatomite, and the organic layer was concentrated, the obtained residue is separated and purified by column chromatography to obtain the target product. Figure 4-the synthesis of bromo-3-fluorobenzonitrile |
Last Update：2024-04-09 19:05:07
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