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Name |
4-Trifluoromethyl-pyridine-3-boronic acid |
EINECS | N/A |
CAS No. | 947533-41-7 | Density | 1.44 g/cm3 |
PSA | 53.35000 | LogP | -0.21980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5BF3NO2 | Boiling Point | 323.5 °C at 760 mmHg |
Molecular Weight | 190.917 | Flash Point | 149.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
[4-(trifluoromethyl)-3-pyridyl]boronic acid;[4-(Trifluoromethyl)pyridin-3-yl]boronic acid;boronic acid, B-[4-(trifluoromethyl)-3-pyridinyl]-; |
The CAS registry number of 4-Trifluoromethyl-pyridine-3-boronic acid is 947533-41-7. The IUPAC name is [4-(trifluoromethyl)-3-pyridyl]boronic acid. In addition, the formula is C6H5BF3NO2 and the molecular weight is 190.9156. It belongs to the classes of Halogenated; Organoborons; Pyridine.
Physical properties about 4-Trifluoromethyl-pyridine-3-boronic acid are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å2; (8)Index of Refraction: 1.457; (9)Molar Refractivity: 36.07 cm3; (10)Molar Volume: 132.2 cm3; (11)Polarizability: 14.3 ×10-24cm3; (12)Surface Tension: 38.4 dyne/cm; (13)Density: 1.44 g/cm3; (14)Flash Point: 149.4 °C; (15)Enthalpy of Vaporization: 59.69 kJ/mol; (16)Boiling Point: 323.5 °C at 760 mmHg; (17)Vapour Pressure: 0.000107 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cnccc1C(F)(F)F)(O)O
(2)InChI: InChI=1/C6H5BF3NO2/c8-6(9,10)4-1-2-11-3-5(4)7(12)13/h1-3,12-13H
(3)InChIKey: GPOLKFXETWUREM-UHFFFAOYAX