4-(Trifluoromethyl)benzonitrile structure
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Common Name | 4-(Trifluoromethyl)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 455-18-5 | Molecular Weight | 171.119 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 183.2±0.0 °C at 760 mmHg | |
| Molecular Formula | C8H4F3N | Melting Point | 39-41 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 71.7±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Danger | |
| Name | 4-(Trifluoromethyl)benzonitrile |
|---|---|
| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 183.2±0.0 °C at 760 mmHg |
| Melting Point | 39-41 °C(lit.) |
| Molecular Formula | C8H4F3N |
| Molecular Weight | 171.119 |
| Flash Point | 71.7±0.0 °C |
| Exact Mass | 171.029587 |
| PSA | 23.79000 |
| LogP | 2.63 |
| Vapour Pressure | 0.8±0.3 mmHg at 25°C |
| Index of Refraction | 1.461 |
| InChIKey | DRNJIKRLQJRKMM-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(C(F)(F)F)cc1 |
| Symbol |
GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H228-H302 + H312 + H332 |
| Precautionary Statements | P210-P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S36/37-S45 |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 29269095 |
| Precursor 9 | |
|---|---|
| DownStream 10 | |
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Nickel-catalyzed carbocyanation of alkynes with allyl cyanides.
J. Am. Chem. Soc. 131 , 10964, (2009) Allyl cyanides are found to add across alkynes in the presence of a nickel/P(4-CF(3)-C(6)H(4))(3) catalyst to give polysubstituted 2,5-hexadienenitriles with defined stereo- and regiochemistry. Use of... |
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Improving palladium-catalyzed cyanation of aryl halides: development of a state-of-the-art methodology using potassium hexacyanoferrate (II) as cyanating agent. Schareina T, et al.
J. Organomet. Chem. 689(24) , 4576-83, (2004)
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| MFCD00001826 |
| 4-(Trifluoromethyl)benzonitrile |
| 4-Cyanobenzotrifluoride |
| p-Tolunitrile, α,α, α-trifluoro- |
| NCR DXFFF |
| Trifluoro-p-tolunitrile |
| p-Cyanobenzotrifluoride |
| Benzonitrile, 4-(trifluoromethyl)- |
| α,α,α-Trifluoro-p-tolunitrile |
| EINECS 207-239-1 |
| p-(Trifluoromethyl)benzonitrile |
| Alpha,Alpha,Alpha-Trifluoro-p-Tolunitrile |