2,6-Difluorobenzonitrile Chemical Properties

Melting point:

25-28 °C (lit.)

Boiling point:

197-198 °C

Density 

1.246 g/mL at 25 °C (lit.)

vapor pressure 

18Pa at 20℃

refractive index 

n20/D 1.4875(lit.)

Flash point:

176 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

DMSO (Slightly), Methanol (Slightly)

form 

Solid

color 

Off-White

Odor

Almond-like odor

Water Solubility 

1.87g/L at 19.85℃

BRN 

2045292

InChI

1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

InChIKey

BNBRIFIJRKJGEI-UHFFFAOYSA-N

SMILES

Fc1cccc(F)c1C#N

LogP

1.9

CAS DataBase Reference

1897-52-5(CAS DataBase Reference)

NIST Chemistry Reference

Benzonitrile, 2,6-difluoro-(1897-52-5)

EPA Substance Registry System

Benzonitrile, 2,6-difluoro- (1897-52-5)

Safety Information

Hazard Codes 

Xn,T,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36-36/37/39

RIDADR 

3439

WGK Germany 

3

Hazard Note 

Toxic

TSCA 

TSCA listed

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269095

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:2,6-Difluorobenzonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,6-Difluorobenzonitrile Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Uses

2,6-Difluorobenzonitrile was used in the synthesis of:

• poly(cyanoaryl ethers) via silyl-method
• 2-dimethylamino-6-fluorobenzamide
• phenolphthalein-modified polyarylene ether nitrile copolymers

Uses

2,6-Difluorobenzonitrile is a halogenated benzonitrile with fungacidal activity. 2,6-Difluorobenzonitrile is the difluoro analogue of the herbicide Dichlobenil.

Flammability and Explosibility

Non flammable

Synthesis

2,6-Difluorobenzonitrile [1897-52-5], 1- cyano-2,6-difluorobenzene, Mr 172.02, mp 29 – 30℃, forms colorless crystals. The nitrile can be produced by treatment of 2,6-dichlorobenzonitrile with potassium fluoride in sulfolane and is used as an intermediate in the synthesis of insecticides (e.g., Dimilin, Shell).

Toxics Screening Level

The initial threshold screening level (ITSL) for 2,6-difluorobenzonitrile (DFBN) is 0.2 μg/m3 based on an annual averaging time.

2,6-Difluorobenzonitrile(1897-52-5)Related Product Information

• 4-Fluorobenzaldehyde
• Diaminomaleonitrile
• 1,2-Difluorobenzene
• Transfluthrin
• 2,2'-Azodi(2-methylbutyronitrile)
• Florfenicol
• 1,3-Difluorobenzene
• 2,3,6-Trifluorobenzonitrile
• Tetrafluoroterephthalonitrile
• 4-AMINO-2,3,5,6-TETRAFLUOROBENZONITRILE
• 2,4,6-Trifluorobenzonitrile
• 4-CYANO-2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE
• Pentafluorobenzonitrile
• 2,4,5,6-Tetrafluoroisophthalonitrile
• 2,6-Difluoro-4-hydroxybenzonitrile
• 2,6-DIFLUORO-3-METHOXYBENZONITRILE
• 3,4-Difluorobenzonitrile 98%,3,4-Difluorobenzonitrile,98%,3,4-DIFLUOROBENZONITRILE
• 3-AMINO-2,6-DIFLUOROBENZONITRILE