3-(Trifluoromethyl)benzonitrile Chemical Properties

Melting point:

16-20 °C(lit.)

Boiling point:

189 °C(lit.)

Density 

1.281 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.4575(lit.)

Flash point:

162 °F

storage temp. 

Sealed in dry,Room Temperature

form 

powder to lump to clear liquid

color 

White or Colorless to Almost white or Almost colorless

Sensitive 

Lachrymatory

BRN 

1868102

InChI

1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H

InChIKey

OGOBINRVCUWLGN-UHFFFAOYSA-N

SMILES

FC(F)(F)c1cccc(c1)C#N

CAS DataBase Reference

368-77-4(CAS DataBase Reference)

NIST Chemistry Reference

3-(CF3)-C6H4-CN(368-77-4)

EPA Substance Registry System

3-(Trifluoromethyl)benzonitrile (368-77-4)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/38

Safety Statements 

45-36-36/37-26

RIDADR 

3276

WGK Germany 

3

Hazard Note 

Lachrymatory

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269095

Storage Class

10 - Combustible liquids

Hazard Classifications

Acute Tox. 4 Dermal
Acute Tox. 4 Oral
STOT SE 3

MSDS

• Language:English Provider:3-Cyanobenzotrifluoride
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-(Trifluoromethyl)benzonitrile Usage And Synthesis

Chemical Properties

Colorless to light yellow liquid

Uses

3-(trifluoromethyl)-Benzonitrile is a useful chemical reagent. It has been employes in the validation of QSAR model for acute toxicity to the fathead minnow (Pimephales promelas).

Uses

3-(Trifluoromethyl)benzonitrile (α, α, α -trifluoro-m-tolunitrile) was used as a reference compound in the determination of the electron affinity of 1,3,5,7-cyclooctatetraene (COT).

3-(Trifluoromethyl)benzonitrile(368-77-4)Related Product Information

• 1,3-Dicyanobenzene
• 2-(Trifluoromethyl)benzoic acid
• 3-(Trifluoromethyl)benzoic acid
• Trifluoromethanesulfonic acid
• p-Tolunitrile
• 3-Aminobenzotrifluoride
• 2-(Trifluoromethyl)benzaldehyde
• 3-(Trifluoromethyl)benzaldehyde
• Benzonitrile
• Benzotrifluoride
• 4'-(Trifluoromethyl)acetophenone
• m-Toluic acid
• 3-(Trifluoromethyl)phenylacetone
• 4-CHLORO-3-(TRIFLUOROMETHYL)BENZONITRILE
• 2-FLUORO-3-(TRIFLUOROMETHYL)BENZONITRILE
• 3-FLUORO-5-(TRIFLUOROMETHYL)BENZONITRILE
• 3,5-Di(trifluoromethyl)benzonitrile,3,5-BIS(TRIFLUOROMETHYL)BENZONITRILE
• TRIMETHYL PHLOROGLUCINOL