| Identification | More | [Name]
2-Fluoro-3-trifluoromethylpyridine | [CAS]
65753-52-8 | [Synonyms]
2-FLUORO-3-(TRIFLUOROMETHYL)PYRIDINE
2-FLUORO-TRIFLUOROMETHYLPYRIDINE
2-FLUORO-3-(TRIFLUOROMETHOXY)PYRIDINE | [EINECS(EC#)]
672-062-2 | [Molecular Formula]
C6H3F4N | [MDL Number]
MFCD04973416 | [Molecular Weight]
165.09 | [MOL File]
65753-52-8.mol |
| Chemical Properties | Back Directory | [Boiling point ]
134-137 °C | [density ]
1.371±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
liquid | [pka]
-2.86±0.10(Predicted) | [color ]
Clear, colourless | [InChI]
1S/C6H3F4N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H | [InChIKey]
UTAQOVYPSZIDTK-UHFFFAOYSA-N | [SMILES]
Fc1ncccc1C(F)(F)F | [CAS DataBase Reference]
65753-52-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
WGK 3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2933399990 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Corr. 1B
STOT RE 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Uses]
2-Fluoro-3-(trifluoromethyl)pyridine is a useful synthetic intermediate. It is used to prepare antihypertensive β-?adrenergic blocking agents. It is also used to synthesize HCV NS5B thumb pocket 2 allosteric inhibitors. | [Synthesis]
General procedure for the synthesis of 2-chloro-3-trifluoromethylpyridine from 2-chloro-3-trifluoromethylpyridine: In a desiccator, anhydrous tetramethylammonium fluoride (NMe4F, 18.6 mg, 0.2 mmol, 2 eq.) and 2-chloro-3-trifluoromethylpyridine (0.1 mmol, 1 eq.) were accurately weighed in a 4 mL sample vial, in which a micro stirring bar was placed in advance. Subsequently, N,N-dimethylformamide (DMF, 0.5 mL) was added as solvent. The sample bottle was removed from the desiccator and the reaction was stirred at room temperature for 24 hours unless otherwise stated. Upon completion of the reaction, the reaction mixture was cooled to room temperature and the internal standard (1,3,5-trifluorobenzene, 100 μL of 0.5 M toluene solution) was added. An appropriate amount of the reaction mixture was taken and analyzed by fluorine-19 nuclear magnetic resonance (59F NMR) spectroscopy and gas chromatography-mass spectrometry (GCMS). | [References]
[1] Chemistry Letters, 1993, # 3, p. 509 - 512
[2] Organic Letters, 2015, vol. 17, # 8, p. 1866 - 1869
[3] Journal of Organic Chemistry, 2015, vol. 80, # 24, p. 12137 - 12145
[4] Patent: WO2017/24167, 2017, A1. Location in patent: Page/Page column 29; 33
[5] Patent: CN108003093, 2018, A. Location in patent: Paragraph 0008; 0017; 0020; 0023 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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China Langchem Inc.
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0086-21-58956006 |
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www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
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