| Identification | Back Directory | [Name]
2-FLUOROISONICOTINONITRILE | [CAS]
3939-14-8 | [Synonyms]
4-Cyano-2-fluoroyridine
4-CYANO-2-FLUOROPYRIDINE
2-FLUOROISONICOTINONITRILE
2-Fluoroisonicotinonitrile98%
2-Fluoroisonicotinonitrile 98%
2-fluoropyridine-4-carbonitrile
2-fluoro-4-Pyridinecarbonitrile
4-Pyridinecarbonitrile, 2-fluoro-
4-Cyano-2-fluoropyridine, 97%, 97%
2-FLUOROISONICOTINONITRILE ISO 9001：2015 REACH
2-cyano-2-fluoro-1,2-dihydropyridine-4-carboxylic acid
4-Cyano-2-fluoropyridine, 2-Fluoropyridine-4-carbonitrile | [Molecular Formula]
C6H3FN2 | [MDL Number]
MFCD09027299 | [MOL File]
3939-14-8.mol | [Molecular Weight]
122.1 |
| Chemical Properties | Back Directory | [Melting point ]
34-36 | [Boiling point ]
204.9±20.0 °C(Predicted) | [density ]
1.24±0.1 g/cm3(Predicted) | [Fp ]
82 °C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to lump | [pka]
-3.79±0.10(Predicted) | [color ]
White to Almost white | [Water Solubility ]
Insoluble in water. | [InChI]
1S/C6H3FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H | [InChIKey]
DYQMGPSBUBTNJZ-UHFFFAOYSA-N | [SMILES]
Fc1cc(ccn1)C#N |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
20/21/22-37/38-41 | [Safety Statements ]
26-36/37 | [RIDADR ]
UN3439 | [WGK Germany ]
1 | [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29333990 | [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 Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
4-Cyano-2-fluoropyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. | [Synthesis]
General procedure for the synthesis of 4-cyano-2-fluoropyridine from 2-chloro-4-cyanopyridine: 2-chloro-4-cyanopyridine (6.0 g, 43.5 mmol), potassium fluoride (7.56 g, 130.3 mmol), and tetrabutylphosphonium bromide (14.8 g, 43.7 mmol) were dissolved in 1-methyl-2-pyrrolidinone (20 mL) and heated to 100° C. The reaction was carried out at 100° C for 18 h. The reaction was carried out in the following manner. C for 18 hours. After completion of the reaction, the reaction mixture was diluted with water and extracted with ethyl acetate (EtOAc). The organic phase was washed sequentially with water and brine, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to afford the target product 4-cyano-2-fluoropyridine (2.3 g, 43% yield). The mass spectrum (ES) showed m/z 123.1 ([M + H]+). NMR hydrogen spectrum (400 MHz, CDCl3) δ 8.43 (d, 1H, J = 5.2 Hz), 7.45 (m, 1H), 7.22 (m, 1H). | [References]
[1] Patent: WO2005/66126, 2005, A1. Location in patent: Page/Page column 60
[2] Patent: WO2010/25451, 2010, A2. Location in patent: Page/Page column 50
[3] Patent: US2011/54173, 2011, A1. Location in patent: Page/Page column 30
[4] Patent: WO2011/25505, 2011, A1. Location in patent: Page/Page column 64
[5] Journal of Organic Chemistry, 2015, vol. 80, # 24, p. 12137 - 12145 |
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