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

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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