Name | 4-Nitro-2-(trifluoromethyl)benzonitrile |
Synonyms | 2-Cyano-5-nitrobenzotr 4-Nitro-2-(Trifluoromethyl)Ben 2-Cyano-5-nitrobenzotrifluoride 4-Nitro-2-trifluoromethylbenzotrile 2-Trifluoromethyl-4-Nitrobenzonitrile -Nitro-2-(trifluoromethyl)benzonitrile 4-Nitro-2-(trifluoromethyl)benzonitrile 2-Cyano-5-nitrobenzotrifluoride, 4-Cyano-3-(trifluoromethyl)nitrobenzene |
CAS | 320-47-8 |
EINECS | 623-803-3 |
InChI | InChI=1/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H |
Molecular Formula | C8H3F3N2O2 |
Molar Mass | 216.12 |
Density | 1.49±0.1 g/cm3(Predicted) |
Melting Point | 49-53°C(lit.) |
Boling Point | 297.7±40.0 °C(Predicted) |
Flash Point | >230°F |
Vapor Presure | 0.00132mmHg at 25°C |
Appearance | powder to crystal |
Color | White to Yellow to Green |
BRN | 2281014 |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.498 |
MDL | MFCD01075729 |
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 | 3276 |
WGK Germany | 3 |
HS Code | 29269090 |
Hazard Note | Harmful |
Hazard Class | 6.1 |
Packing Group | III |
application | 4-nitro-2-(trifluoromethyl) benzonitrile can be used as an intermediate in organic synthesis and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical generation process. |
Preparation | At room temperature, add potassium cyanide to the anhydrous acetonitrile solution of 2-chloro-5-iodobenzene 4-nitro-2-(trifluoromethyl) aniline, heat the mixture at 60°C for 25 minutes, add saturated sodium thiosulfate aqueous solution (20 mL), and concentrate the mixture under reduced pressure, most of the acetonitrile was removed and the aqueous phase was extracted with ethyl acetate (4 × 10mL). The combined organic matter was dried with anhydrous magnesium sulfate. Filter and concentrate under reduced pressure to obtain solids. The solids are pre-added to the silica. The residue was purified by rapid column chromatography and eluted with 40g silica and 0-10% heptane solution with ethyl acetate. The fractions bearing the product were combined and evaporated to obtain the product 4-nitro-2-(trifluoromethyl) benzonitrile. |