4-Fluorobenzonitrile Chemical Properties

Melting point:

32-34 °C (lit.)

Boiling point:

188 °C/750 mmHg (lit.)

Density 

1.1070

refractive index 

1.4925

Flash point:

150 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Chloroform, Ethyl Acetate

form 

Crystalline Low Melting Solid

color 

White

Water Solubility 

Insoluble in water.

BRN 

2041517

Exposure limits

NIOSH: IDLH 25 mg/m3

InChIKey

AEKVBBNGWBBYLL-UHFFFAOYSA-N

CAS DataBase Reference

1194-02-1(CAS DataBase Reference)

NIST Chemistry Reference

Benzonitrile, 4-fluoro-(1194-02-1)

EPA Substance Registry System

4-Fluorobenzonitrile (1194-02-1)

Safety Information

Hazard Codes 

Xn,T,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

36/37-36/37/39-26-36

RIDADR 

UN 1325

WGK Germany 

3

RTECS 

DI4368500

Hazard Note 

Toxic

TSCA 

T

HazardClass 

4.1

PackingGroup 

Ⅱ

HS Code 

29269095

Toxicity

mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.

MSDS

• Language:English Provider:4-Fluorobenzonitrile
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4-Fluorobenzonitrile Usage And Synthesis

Chemical Properties

white crystalline low melting solid

Uses

4-Fluorobenzonitrile is used as chemical intermediate, solvent for perfumes and pharmaceuticals, stabilizer for chlorinated solvents, HPLC analysis, catalyst and component of transition-metal complex catalysts.

Uses

4-Fluorobenzonitrile is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opiod receptor antagonists.

Definition

ChEBI: 4-Fluorobenzonitrile is a member of benzenes and a nitrile.

General Description

4-Fluorobenzonitrile undergoes metal-mediated coupling to yield eight-membered thorium(IV) tetraazamacrocycle. It undergoes condensation with diphenylamine to yield monomer 4-cyanotriphenylamine.

Synthesis

4-Fluorobenzonitrile is synthesised using 4-Fluorobenzyl alcohol as raw material by chemical reaction. The specific synthesis steps are as follows:
With respect to 2 mmol of each alcohol represented by the general formula (1), 4 ml of CH2Cl2 as a solvent, 0.05 equivalent of TEMPO as an N-nitrosyl compound, (A) t-BuOCl, (B) I 2 or (C ) N, N'-diiodo-5,5-dimethylhydantoin (DIH) were mixed in a predetermined amount and stirred for a predetermined time at room temperature.Next, 1.5 equivalents of I 2 and 4 ml of aqueous ammonia were added, and the mixture was stirred at room temperature for 2 hours.

4-Fluorobenzonitrile(1194-02-1)Related Product Information

• 4-Fluoronitrobenzene
• 4-Fluorophenoxyacetic acid
• Methyl 4-fluorobenzoate
• Ethyl 4-fluorobenzoate
• 4-Fluorobenzoic acid
• 4-Fluorobenzyl chloride
• 4-Fluorophenylacetic acid
• 4-Bromofluorobenzene
• 4-Fluorothiophenol
• 4-Fluoromandelic acid
• 4-Fluorobenzylamine
• 4-Fluorobenzaldehyde
• 4-Fluorobenzamide
• 4-Fluorobenzoyl chloride
• Pentafluorobenzonitrile
• 4-Fluorobenzonitrile
• 3-Bromo-4-fluorobenzonitrile
• 4-Fluoro-3-(trifluoromethyl)benzonitrile