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393-55-5

Basic Information
CAS No.: 393-55-5
Name: 2-Fluoronicotinic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 393-55-5 (2-Fluoronicotinic acid)
Formula: C6H4FNO2
Molecular Weight: 141.102
Synonyms: 2-fluoropyridine-3-carboxylic acid;2-Fluoro-3-Nicotinic Acid;
EINECS: 206-888-8
Density: 1.419 g/cm3
Melting Point: 161-165 °C(lit.)
Boiling Point: 298.7 °C at 760 mmHg
Flash Point: 134.4 °C
Appearance: Light yellow cryst.
Hazard Symbols: IrritantXi, FlammableF
Risk Codes: 36/37/38-10
Safety: 26-36-16
PSA: 50.19000
LogP: 0.91890
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    2-Fluoronicotinic acid

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Specification

The 2-Fluoronicotinic acid is an organic compound with the formula C6H4FNO2. The IUPAC name of this chemical is 2-fluoropyridine-3-carboxylic acid. With the CAS registry number 393-55-5, it is also named as Acide 2-fluoropyridine-3-carboxylique. The product's categories are Pyridine; Pyridines; Building Blocks; Carboxy; Fluoropyridines; Halopyridines; Carboxylic Acids; Boronic Acid; Picolinic Acid Series. Besides, it is a light yellow cryst.

Physical properties about 2-Fluoronicotinic acid are: (1)ACD/LogP: 0.17; (2)ACD/LogD (pH 5.5): -2.57; (3)ACD/LogD (pH 7.4): -2.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.19 Å2; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 31.26 cm3; (14)Molar Volume: 99.3 cm3; (15)Polarizability: 12.39×10-24cm3; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.419 g/cm3; (18)Flash Point: 134.4 °C; (19)Enthalpy of Vaporization: 56.88 kJ/mol; (20)Boiling Point: 298.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000559 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-fluoro-3-methyl-pyridine. This reaction will need reagent aqueous KMnO4.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccnc1F
(2)InChI: InChI=1/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
(3)InChIKey: LLLVHTWJGWNRBD-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
(5)Std. InChIKey: LLLVHTWJGWNRBD-UHFFFAOYSA-N