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4-Fluorobenzonitrile

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4-Fluorobenzonitrile Basic information

Product Name:
4-Fluorobenzonitrile
Synonyms:
  • PFBN
  • P-FLUOROBENZONITRILE
  • Benzonitrile, p-fluoro- (6CI,7CI,8CI)
  • The fluorine benzene nitriles
  • 4-Fluorobenzonitrile, 97+%
  • For fluorobenzonitrile
  • p-Fluorophenyl cyanide
  • P-Fluorobenzonitile
CAS:
1194-02-1
MF:
C7H4FN
MW:
121.11
EINECS:
214-784-9
Product Categories:
  • Pesticide intermediates
  • Pyridines
  • Fluorobenzene Series
  • Aromatic Nitriles
  • Fluorobenzene
  • Nitrile
  • Nitriles
  • Fluorine Compounds
  • Benzonitriles (Building Blocks for Liquid Crystals)
  • Building Blocks for Liquid Crystals
  • Functional Materials
  • C6 to C7
  • Cyanides/Nitriles
  • Nitrogen Compounds
  • bc0001
  • 1194-02-1
Mol File:
1194-02-1.mol
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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)
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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 
HS Code 
29269095
Toxicity
mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.

MSDS

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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.

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