2,3,6-(trifluorophenyl)acetonitrile

2,3,6-(trifluorophenyl)acetonitrile - Names and Identifiers

Name	2,3,6-(trifluorophenyl)acetonitrile
Synonyms	2,3,6-TRIFLUOROBENZYL CYANIDE 2,3,6-Trifluorobenzyl Cyanide 2,3,6-TRIFLUOROPHENYLACETONITRILE 2,3,6-Trifluorophenylacetonitrile 2,3,6-trifluorobenzeneacetonitrile 2,3,6-(trifluorophenyl)acetonitrile 2-(2,3,6-Trifluorophenyl)acetonitrile Benzeneacetonitrile, 2,3,6-trifluoro- 2,3,6-Trifluorophenylacetonticonitrile
CAS	114152-21-5
InChI	InChI=1/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2

2,3,6-(trifluorophenyl)acetonitrile - Physico-chemical Properties

Molecular Formula	C8H4F3N
Molar Mass	171.12
Density	1.334±0.06 g/cm3(Predicted)
Melting Point	41-43 ℃(lit.)
Boling Point	80-85℃ (5 Torr)
Flash Point	80.3°C
Vapor Presure	0.206mmHg at 25°C
Storage Condition	Room Temprature
Refractive Index	1.468
MDL	MFCD00061219

2,3,6-(trifluorophenyl)acetonitrile - Risk and Safety

Hazard Symbols	T - Toxic
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.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	3276
Hazard Class	TOXIC

2,3,6-(trifluorophenyl)acetonitrile - Introduction

2,3, 6-trifluorobenzeneacetonitrile, the chemical formula is C8H4F3N, which is an organic compound. The following is an introduction to its nature, use, preparation and safety information:

Nature:
-Appearance: 2,3, 6-Trifluorobenzeneacetonitrile is a colorless liquid.
-water-soluble: soluble in organic solvents, such as ether and dimethyl sulfoxide.
-Melting point and boiling point: melting point is -32 ℃, boiling point is 137 ℃.
-Density: 2,3, 6-Trifluorobenzeneacetonitrile has a density of 1.316g/cm³.

Use:
-As a solvent: 2,3, 6-trifluorophenylacetonitrile can be used as a solvent in organic synthesis, used for catalyst synthesis and catalyst conversion of catalytic reactions.
-As an important intermediate: It can also be used as an intermediate in the synthesis of certain pesticides, fungicides and drugs.

Method:
2,3, 6-Trifluorobenzeneacetonitrile can be synthesized by the following steps:
1. Benzyl alcohol reacts with anhydrous hydrogen fluoride to generate 2,3, 6-trifluorobenzyl alcohol.
2.2,3, 6-trifluorobenzyl alcohol reacts with thionyl chloride to generate 2,3, 6-trifluoroanisole.
3. Finally, 2,3, 6-trifluoroanisole is reacted with hydrocyanic acid to generate 2,3, 6-trifluorobenzeneacetonitrile.

Safety Information:
2,3, 6-Trifluorobenzeneacetonitrile should pay attention to the following matters during storage and handling:
-May have irritating and harmful effects on the human body, and should wash hands in time after contact.
-Avoid inhaling its vapors or spray. Good ventilation conditions are required during operation.
-Irritating effect on eyes and skin. If you touch it carelessly, rinse immediately with plenty of water for at least 15 minutes and seek medical help.
- 2,3, 6-Trifluorophenylacetonitrile should be stored in a sealed container, away from fire and high temperature environment.

Please note that the use and handling of chemical substances must strictly comply with relevant safety practices and follow local regulations and guidelines.

Last Update：2024-04-09 21:00:56