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Name |
3-Fluoroisonicotinic acid |
EINECS | -0 |
CAS No. | 393-53-3 | Density | 1.419 g/cm3 |
PSA | 50.19000 | LogP | 0.91890 |
Solubility | N/A | Melting Point |
251-254 °C (dec.) |
Formula | C6H4FNO2 | Boiling Point | 360 °C at 760 mmHg |
Molecular Weight | 141.102 | Flash Point | 171.5 °C |
Transport Information | N/A | Appearance | white to yellow crystalline solid |
Safety | 26-36-16 | Risk Codes | 36/37/38-10 |
Molecular Structure | Hazard Symbols | Xi, F | |
Synonyms |
Isonicotinicacid, 3-fluoro- (8CI);3-Fluoropyridine-4-carboxylicacid;NSC 402974; |
Article Data | 14 |
The 3-Fluoroisonicotinic acid is an organic compound with the formula C6H4FNO2. The IUPAC name of this chemical is 3-fluoropyridine-4-carboxylic acid. With the CAS registry number 393-53-3, it is also named as Acide 2-fluoropyridine-3-carboxylique. The product's categories are Blocks; Carboxes; FluoroCompounds; Pyridines; Pyridine; Pyridine Series; Building Blocks; Fluorinated.
Physical properties about 3-Fluoroisonicotinic 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.
When you are using this chemical, please be cautious about it as the following:
It is flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and keep away from sources of ignition - No smoking.
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