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| | 4-Fluorophenylacetonitrile Basic information |
| Product Name: | 4-Fluorophenylacetonitrile | | Synonyms: | P-FLUOROBENZYL CYANIDE;P-FLUOROPHENYLACETONITRILE;PARA-FLUOROBENZYL CYANIDE;p-Fluorobenzyl nitrile;4-Fluorophenylacetonitrile,4-Fluorobenzyl cyanide;4-Fluorophenylacetonitrile, 99% 25GR;The fluorine benzene acetonitrile;(p-fluorophenyl)-acetonitril | | CAS: | 459-22-3 | | MF: | C8H6FN | | MW: | 135.14 | | EINECS: | 207-286-8 | | Product Categories: | Aromatic Nitriles;Nitrile;Fluorobenzene | | Mol File: | 459-22-3.mol |  |
| | 4-Fluorophenylacetonitrile Chemical Properties |
| Melting point | 86°C | | Boiling point | 119-120 °C/18 mmHg (lit.) | | density | 1.126 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.5002(lit.) | | Fp | 227 °F | | storage temp. | Inert atmosphere,Room Temperature | | form | Liquid | | color | Clear colorless to light yellow | | BRN | 1907764 | | Exposure limits | NIOSH: IDLH 25 mg/m3 | | InChI | InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 | | InChIKey | JHQBLYITVCBGTO-UHFFFAOYSA-N | | SMILES | C1(CC#N)=CC=C(F)C=C1 | | CAS DataBase Reference | 459-22-3(CAS DataBase Reference) | | NIST Chemistry Reference | 4-Fluorophenylacetic acid nitrile(459-22-3) | | EPA Substance Registry System | Benzeneacetonitrile, 4-fluoro- (459-22-3) |
| Hazard Codes | Xn,T,Xi | | Risk Statements | 20/21/22-36/37/38-20/21/22/36/37/38-20/20/22 | | Safety Statements | 26-36-24/25-26/36/37/39 | | RIDADR | UN 3276 6.1/PG 3 | | WGK Germany | 3 | | RTECS | AM0210000 | | Hazard Note | Toxic | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-Fluorophenylacetonitrile Usage And Synthesis |
| Chemical Properties | Clear light yellow liquid | | Uses | 4-Fluorophenylacetonitrile is used as a reagent in the synthesis of novel Daidzein analogs which exhibit anti-influenza activity in vitro. It is also used as a reagent in the synthesis of benzylbenzo[d]thiazole sulfonamides which exhibit anti-inflammatory activity. | | General Description | 4-Fluorophenylacetonitrile is starting reagent in the synthesis of 1-Alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives. | | Biochem/physiol Actions | 4-Fluorophenylacetonitrile undergoes biotransformation to 4-Fluorophenylacetic acid by marine fungi, Aspergillus sydowii Ce19. | | Synthesis | Add 0.3 mmol of cuprous iodide and 0.3 mL of toluene solvent to the reaction tube and stir for 1 min; then add 0.5 mmol of K4[Fe(CN)6], 1 mmol of p-fluorobenzyl chloride and 0.7 mL of toluene. After sealing the reaction tube, it was stirred at 180 C for 20 h. After the reaction system was cooled down to room temperature, 1 mL of dichloromethane solution of acetophenone (0.8 mmol/mL) was added as the internal standard, stirred well and left for more than 1 h. The supernatant was taken and analyzed by gas chromatography, and the yield of p-fluorophenylacetonitrile was 85%. The theoretical value of the molecular ion peak (M+) of p-fluorophenylacetonitrile was 135.05 and the measured value was 135.1. |
| | 4-Fluorophenylacetonitrile Preparation Products And Raw materials |
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