2-CHLORO-3-FLUOROPYRIDINE N-OXIDE

The Pyridine, 2-chloro-3-fluoro-, 1-oxide, with the CAS registry number 85386-94-3, is also known as 2-Chloro-3-fluoropyridine 1-oxide. This chemical's molecular formula is C₅H₃ClFNO and molecular weight is 147.53. What's more, its IUPAC name is 2-Chloro-3-fluoro-1-oxidopyridin-1-ium.

Physical properties about Pyridine, 2-chloro-3-fluoro-, 1-oxide are: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 24.11 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 32.31 cm³; (9)Molar Volume: 104.5 cm³; (10)Polarizability: 12.81×10^-24 cm³; (11)Surface Tension: 39 dyne/cm; (12)Density: 1.41 g/cm³; (13)Flash Point: 145.6 °C; (14)Enthalpy of Vaporization: 53.62 kJ/mol; (15)Boiling Point: 317.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000733 mmHg at 25 °C.

Preparation of Pyridine, 2-chloro-3-fluoro-, 1-oxide: this chemical is prepared by 2-Chloro-3-fluoro-pyridine. This reaction needs reagents (CH₃CO)₂O and 30 % H₂O₂. The reaction time is 12 hours with reaction temperature of 80 °C. The yield is about 64 %.

Uses of Pyridine, 2-chloro-3-fluoro-, 1-oxide: it is used to produce other chemicals. For example, it is used to produce 2-Chloro-3-fluoro-6-nitro-pyridine-N-oxide by heating. The reaction needs reagent and solvent . This reaction needs reagents conc. H₂SO₄/H₂SO₄ (20 % SO₃) (1:1) and H₂SO₄ (20 % SO₃)/100 % HNO₃. The reaction time is 1 hour. The yield is about 44 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1cccc(F)c1Cl
(2) InChI: InChI=1/C5H3ClFNO/c6-5-4(7)2-1-3-8(5)9/h1-3H
(3) InChIKey: DPLJAKHIJWQGJM-UHFFFAOYAM