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: 2025-11-27 16:19:47
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.
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) |
![]() Flame Flammables GHS02 ![]() 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
JSK Chemicals
Archerchem Healthcare Pvt., Ltd. (part of Archerchem Group)
ASM Organics
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