Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

英文名	3-fuoro-2-nitropyridine
IUPAC Name	3-fluoro-2-nitropyridine
分子结构
CAS编号	54231-35-5
别名	3-fuoro-2-nitropyridine, 2-nitro-3-fluoropyridine, 3- fluoro-2-nitropyridine, 3-fluoro-2-nitro-pyridine, 3-fluoro-2-nitropyridine, 2-Nitro-3-fluorpyridin
分子式	C5H3FN2O2
分子量	142.089
InChI	InChI=1S/C5H3FN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H
InChI Key	IJVFHCSUEBAAOZ-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=C(N=C1)[N+](=O)[O-])F

Patent Information
Patent ID	Title	Publication Date
US2013/29961	Substituted Heterocyclic Aza Compounds	2013
US2013/29962	Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands	2013

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Physical Data

Appearance	Yellow crystal
Melting Point	35℃ 38-39 ℃
Water Solubility	Slightly soluble in water
Flash Point	＞70℃

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Spectra

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)
Chemical shifts	1H	CDCl3

3-Fluoro-2-nitropyridine CAS#: 54231-35-5 UPLC
3-Fluoro-2-nitropyridine CAS#: 54231-35-5 GC

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Route of Synthesis (ROS)

Conditions	Yield
Multi-step reaction with 2 steps 1: 87 percent / NaNO2, HBF4 (34percent) / H2O / 0.5 h / -8 – -2 °C 2: 115 – 120 °C
Stage #1: 3-amino-2-nitropyridine With tetrafluoroboric acid; sodium nitrite In water at -8 – -2℃ for 0.5h Stage #2: at 120℃ Stage #3: With sodium hydrogencarbonate In water Experimental Procedure Step (i): Synthesis Of 3-fluoro-2-nitropyridineA solution of sodium nitrite (20 g, 288 mmol) in water (40 mL) was added dropwiseto a stirred mixture of2-nitropyridine-3-amine (40 g, 288 mmol) in 34percent fluoroboric acid(140 mL). During addition the temperature was maintained between -8 C to -2 DEG C. After0.5 h, the suspension was filtered and the solid washed with 34percent fkioroboric acid (35 mL),ether (80 mL) and dried at room temperature under high vacuurn for 12 h to give 52 g of an orange brown soud of the fluoroborate salt. The dry solid was decomposed by heating to 120 DEG C. Afler decomposition the remaining oil was treated with a solution of 10percent sodium hydrogenocarbonate (80mL) and the mixture was extracted with dichloromethane. The combined extracts were dried over sodium sulfate, filtered and the solvent removed overunder reduced pressure to yield the title compound as a pale yellow solid.
With tetrafluoroboric acid In toluene at 120℃ Inert atmosphere

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Safety and Hazards

Pictogram(s)
Signal	Danger
GHS Hazard Statements	H302: Harmful if swallowed [Warning Acute toxicity, oral] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement Codes	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

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Other Data

Transportation	Not dangerous goods
	Under the room temperature and away from light
HS Code	294200
Storage	Store at below 25°C for long time, in container tightly sealed; Protect from light
Shelf Life	2 years
Market Price	USD 2840/kg

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