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CAS No.: | 116548-03-9 |
---|---|
Name: | 2-Hydroxy-6-(trifluoromethyl)nicotinamide |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H5F3N2O2 |
Molecular Weight: | 206.12 |
Synonyms: | 1,2-Dihydro-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylicacid amide;2-Hydroxy-6-trifluoromethylnicotinamide;2-Hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide; |
Density: | 1.549 g/cm3 |
Melting Point: | 220 °C |
Boiling Point: | 396.172 °C at 760 mmHg |
Flash Point: | 193.398 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 76.21000 |
LogP: | 1.60520 |
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The cas register number of 2-Hydroxy-6-(trifluoromethyl)nicotinamide is 116548-03-9. It also can be called as 2-Hydroxy-6-(trifluoromethyl)pyridine-3-carboxamide and the Systematic name about this chemical is 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide. It belongs to the following product categories, such as Acids and Derivatives, Heterocycles and so on.
Physical properties about 2-Hydroxy-6-(trifluoromethyl)nicotinamide are: (1)ACD/LogP: -1.69; (2)ACD/LogD (pH 5.5): -1.8; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.21; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 40.62Å2; (12)Index of Refraction: 1.492; (13)Molar Refractivity: 38.63 cm3; (14)Molar Volume: 133 cm3; (15)Polarizability: 15.31x10-24cm3; (16)Surface Tension: 42.9 dyne/cm; (17) Enthalpy of Vaporization: 64.64 kJ/mol ; (18)Vapour Pressure: 1.74E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C1=C\C=C(/NC1=O)C(F)(F)F)N
(2)InChI: InChI=1/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
(3)InChIKey: BZMWJLRKOIRLSU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
(5)Std. InChIKey: BZMWJLRKOIRLSU-UHFFFAOYSA-N