Trifluoro-p-tolunitrile
Synonym(s):α,α,α-Trifluoro-p-tolunitrile
- CAS NO.：455-18-5
- Empirical Formula: C8H4F3N
- Molecular Weight: 171.12
- MDL number: MFCD00001826
- EINECS: 207-239-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-06 18:33:45
What is Trifluoro-p-tolunitrile?
Chemical properties
white to light yellow crystal powder
The Uses of Trifluoro-p-tolunitrile
4-(Trifluoromethyl)benzonitrile is used in the synthesis of quinazolines for amidines. Also used in the synthesis of s-transferase p1-1 and cancer cell proliferation.
What are the applications of Application
4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine
General Description
4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.
Properties of Trifluoro-p-tolunitrile
| 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 |
| Flash point: | 161 °F |
| storage temp. | Sealed in dry,Room Temperature |
| Water Solubility | Insoluble in water |
| solubility | soluble in Chloroform, Methanol |
| form | powder to lump to clear liquid |
| color | White or Colorless to Light yellow |
| Specific Gravity | 1.278 |
| Sensitive | Lachrymatory |
| BRN | 2046478 |
| 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 for Trifluoro-p-tolunitrile
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H228:Flammable solids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for Trifluoro-p-tolunitrile
| InChIKey | DRNJIKRLQJRKMM-UHFFFAOYSA-N |
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