| Trifluoro-p-tolunitrile Basic information |
| Product Name: | Trifluoro-p-tolunitrile |
| Synonyms: | PTF-CN;P-TRIFLUOROMETHYLBENZONITRILE;PARA-TRIFLUOROMETHYL-BENZONITRILE;trifluoro-p-tolunitrile;4-CYANOBENZOTRIFLUORIDE;4-(TRIFLUOROMETHYL)BENZONITRILE;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUNITRILE;alpha,alpha,alpha-Trifluoro-p-toluonitrile |
| CAS: | 455-18-5 |
| MF: | C8H4F3N |
| MW: | 171.12 |
| EINECS: | 207-239-1 |
| Product Categories: | cyanide;Aromatic Nitriles;Drug Intermediates;Fluorine Compounds;Nitriles;Benzotrifluoride Series;Nitrile;bc0001;455-18-5 |
| Mol File: | 455-18-5.mol |
| Trifluoro-p-tolunitrile Chemical Properties |
| Melting point | 39-41 °C(lit.) |
| Boiling point | 80-81 °C20 mm Hg(lit.) |
| density | 1.278 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 161 °F |
| storage temp. | Sealed in dry,Room Temperature |
| Water Solubility | Insoluble in water |
| form | powder to lump to clear liquid |
| color | White or Colorless to Light yellow |
| Specific Gravity | 1.278 |
| Sensitive | Lachrymatory |
| BRN | 2046478 |
| InChIKey | DRNJIKRLQJRKMM-UHFFFAOYSA-N |
| CAS DataBase Reference | 455-18-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Trifluoromethylbenzoic acid nitrile(455-18-5) |
| EPA Substance Registry System | Benzonitrile, 4-(trifluoromethyl)- (455-18-5) |
| Safety Information |
| Hazard Codes | Xn,F |
| Risk Statements | 20/21/22-11 |
| Safety Statements | 36/37-45-36 |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| Hazard Note | Lachrymatory |
| TSCA | T |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269095 |
| MSDS Information |
| Provider | Language |
|---|---|
| 4-(Trifluoromethyl)benzonitrile | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| Trifluoro-p-tolunitrile Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder |
| General Description | 4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne. |
| Trifluoro-p-tolunitrile Preparation Products And Raw materials |
| Preparation Products | 4-(TRIFLUOROMETHYL)-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZONITRILE-->5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone-->4-(Difluoromethyl)benzonitrile |
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