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Cas Database |
| Name |
2-Trifluoromethyl-5-pyridineboric acid |
EINECS | N/A |
| CAS No. | 868662-36-6 | Density | 1.44 g/cm3 |
| PSA | 53.35000 | LogP | -0.21980 |
| Solubility | Slightly soluble in water. | Melting Point |
N/A |
| Formula | C6H5BF3NO2 | Boiling Point | 274.9 °C at 760 mmHg |
| Molecular Weight | 190.917 | Flash Point | 120.1 °C |
| Transport Information | N/A | Appearance | off-white powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Trifluoromethyl-4-pyrazolylboric acid;2-Trifluoromethyl-pyridine-5-boronic acid;[6-(Trifluoromethyl)-3-pyridyl]boronic acid;6-Trifluoromethylpyridine-3-boronic acid; |
Article Data | 7 |
2-Trifluoromethyl-5-pyridineboric acid Specification
The 2-Trifluoromethyl-5-pyridineboric acid with CAS registry number of 868662-36-6 is also known as Boronic acid,B-[6-(trifluoromethyl)-3-pyridinyl]-. The systematic name is [6-(Trifluoromethyl)-3-pyridyl]boronic acid. It belongs to product categories of Organoborons; Pyridine; Boronic Acid. In addition, the formula is C6H5BF3NO2 and the molecular weight is 190.92.
Physical properties about 2-Trifluoromethyl-5-pyridineboric acid are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.25 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.457; (7)Molar Refractivity: 36.07 cm3; (8)Molar Volume: 132.2 cm3; (9)Surface Tension: 38.4 dyne/cm; (10)Density: 1.44 g/cm3; (11)Flash Point: 120.1 °C; (12)Enthalpy of Vaporization: 54.22 kJ/mol; (13)Boiling Point: 274.9 °C at 760 mmHg; (14)Vapour Pressure: 0.00255 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: B(c1ccc(nc1)C(F)(F)F)(O)O
2. InChI: InChI=1/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
3. InChIKey: BNTIPMNMTIAWIW-UHFFFAOYAX
4. Std. InChI: InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
5. Std. InChIKey: BNTIPMNMTIAWIW-UHFFFAOYSA-N
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