2,3,6-Trifluorobenzonitrile Chemical Properties

Boiling point:

179°C

Density 

1.359 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.4706(lit.)

Flash point:

174 °F

storage temp. 

Storage temp. 2-8°C

form 

liquid

Specific Gravity

1.360

color 

Clear, colourless

BRN 

5427616

InChI

InChI=1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H

InChIKey

YWTXHALVWAISPR-UHFFFAOYSA-N

SMILES

C(#N)C1=C(F)C=CC(F)=C1F

CAS DataBase Reference

136514-17-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,Xi,Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36/37-38-36-23-9

RIDADR 

3276

WGK Germany 

3

Hazard Note 

Toxic

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:2,3,6-Trifluorobenzonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2,3,6-Trifluorobenzonitrile Usage And Synthesis

Application

2,3,6-Trifluorobenzonitrile is often used as an important intermediate in organic synthesis. By transforming the fluorine atoms on its benzene ring, a variety of organic molecules with specific structures and functions can be synthesized. Furthermore, it has some applications in the field of materials science, specifically in the structural modification of liquid crystal materials.

Chemical Properties

2,3,6-Trifluorobenzonitrile is a colorless transparent liquid at room temperature and pressure, insoluble in water but miscible with common organic solvents. The fluorine atom at position 2 in its structure can be defluorinated under the attack of strong nucleophilic reagents, which can be used for the synthesis of biologically active molecules of polysubstituted benzonitrile.

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