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HomeProduct name list4-Fluorobenzonitrile

4-Fluorobenzonitrile

  • CAS NO.:1194-02-1
  • Empirical Formula: C7H4FN
  • Molecular Weight: 121.11
  • MDL number: MFCD00001812
  • EINECS: 214-784-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:08:52
4-Fluorobenzonitrile Structural

What is 4-Fluorobenzonitrile?

Chemical properties

white crystalline low melting solid

The Uses of 4-Fluorobenzonitrile

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

The Uses of 4-Fluorobenzonitrile

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.

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 synthesis

Properties of 4-Fluorobenzonitrile

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
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 for 4-Fluorobenzonitrile

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H228:Flammable solids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240:Ground/bond container and receiving equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

Computed Descriptors for 4-Fluorobenzonitrile

InChIKey AEKVBBNGWBBYLL-UHFFFAOYSA-N

4-Fluorobenzonitrile manufacturer

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