Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(5-Trifluoromethylpyridin-3-yl)boronic acid |
EINECS | N/A |
CAS No. | 947533-51-9 | Density | 1.44 g/cm3 |
PSA | 53.35000 | LogP | -0.21980 |
Solubility | N/A | Melting Point |
300.8 °C (decomp) |
Formula | C6H5BF3NO2 | Boiling Point | 299.9 °C at 760 mmHg |
Molecular Weight | 190.917 | Flash Point | 135.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Trifluoromethyl-pyridine-3-boronic acid;3-trifluoromethyl-5-pyridyl boronic acid;(5-Trifluoromethylpyridin-3-yl)boronic acid, 95%;5-TRIFLUOROMETHYL-PYRIDINE-3-BORONIC ACI;BP 33117 5-TRIFLUOROMETHYL-PYRIDINE-3-BORONIC ACID;3-Borono-5-(trifluoromethyl)pyridine;5-TrifluoroMethyl-3-pyridineboric acid |
Article Data | 8 |
The (5-Trifluoromethylpyridin-3-yl)boronic acid is an organic compound with the formula C6H5BF3NO2. The systematic name of this chemical is [5-(trifluoromethyl)-3-pyridyl]boronic acid. With the CAS registry number 947533-51-9, it is also named as 3-trifluoromethyl-5-pyridyl boronic acid.
Physical properties about (5-Trifluoromethylpyridin-3-yl)boronic acid are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.11 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.35 Å2; (7)Index of Refraction: 1.457; (8)Molar Refractivity: 36.07 cm3; (9)Molar Volume: 132.2 cm3; (10)Polarizability: 14.3×10-24cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Density: 1.44 g/cm3; (13)Flash Point: 135.2 °C; (14)Enthalpy of Vaporization: 57.02 kJ/mol; (15)Boiling Point: 299.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000516 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)C(F)(F)F)(O)O
(2)InChI: InChI=1/C6H5BF3NO2/c8-6(9,10)4-1-5(7(12)13)3-11-2-4/h1-3,12-13H
(3)InChIKey: SFBQNNGMEKUJAN-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-5(7(12)13)3-11-2-4/h1-3,12-13H
(5)Std. InChIKey: SFBQNNGMEKUJAN-UHFFFAOYSA-N