2-Fluorobenzyl cyanide Chemical Properties

Boiling point:

114-117 °C/20 mmHg (lit.)

Density 

1.059 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.5009(lit.)

Flash point:

110 °F

storage temp. 

Sealed in dry,Room Temperature

form 

clear liquid

color 

Colorless to Red to Green

Specific Gravity

1.14

BRN 

1862361

Exposure limits

NIOSH: IDLH 25 mg/m3

InChI

1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

InChIKey

DAVJMKMVLKOQQC-UHFFFAOYSA-N

SMILES

Fc1ccccc1CC#N

CAS DataBase Reference

326-62-5(CAS DataBase Reference)

NIST Chemistry Reference

Benzeneacetonitrile, 2-fluoro-(326-62-5)

EPA Substance Registry System

Benzeneacetonitrile, 2-fluoro- (326-62-5)

Safety Information

Hazard Codes 

Xn,T,Xi,F

Risk Statements 

10-20/21/22-36/37/38

Safety Statements 

16-26-36-24/25

RIDADR 

UN 1993 3/PG 3

WGK Germany 

3

Hazard Note 

Toxic

TSCA 

TSCA listed

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

Storage Class

3 - Flammable liquids

Hazard Classifications

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

MSDS

• Language:English Provider:2-Fluorobenzyl cyanide
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2-Fluorobenzyl cyanide Usage And Synthesis

Chemical Properties

clear colorless to yellow-brownish liquid

Uses

2-Fluorophenylacetonitrile was used in the synthesis of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile.

Synthesis

189g o-fluorobenzyl bromide (1 mol) was dissolved in a solution consisting of 500mL of toluene and 500mL of water, 58.8g of sodium cyanide (1.2 mol) was added, stirring to dissolve, and then 7.4g of tetrabutylammonium bromide (0.02 mol) was added to form a reaction system, and the reaction system was heated to 55??C and stirred to react for 10 hours, and the thin layer chromatography (TLC) showed that the reaction of raw materials was complete. Thin layer chromatography (TLC) showed that the reaction of raw materials was complete, the reaction system was static layered, the organic layer was dried and concentrated to obtain the crude product, the crude product was obtained by decompression distillation to obtain 115 g of white liquid, i.e., 2-fluorophenylacetonitrile, the yield was 85%.

2-Fluorobenzyl cyanide(326-62-5)Related Product Information

• alpha-Chloro-o-fluorotoluene
• 2-Fluorotoluene
• 2-Fluorobenzylamine
• 2-Fluorophenylacetic acid
• O-fluoromandelic acid
• 2-Fluorobenzaldehyde
• 2-Fluorobenzoyl chloride
• 2-Fluoroanisole
• 2-Fluorobenzoic acid
• 2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE
• 2,5-DIFLUOROPHENYLACETONITRILE
• 2-CHLORO-6-FLUOROBENZYL CYANIDE
• 2,4,6-TRIFLUOROPHENYLACETONITRILE
• 2,6-DIFLUOROPHENYLACETONITRILE
• 2,3-Difluorophenylacetonitrile
• 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE
• 2,4,5-Trifluorophenylacetonitrile
• 2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLACETONITRILE