[6-(2,2,2-Trifluoroethoxy)-3-pyridinyl]boronic acid supplier

Name
[6-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-3-YL]BORONIC ACID
EINECS
CAS No. 196083-20-2
Density 1.426 g/cm³
Solubility
Melting Point
Formula C₇H₇BF₃NO₃
Boiling Point 300.586 °C at 760 mmHg
Molecular Weight 220.94
Flash Point 135.59 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms [6-(2,2,2-Trifluoroethoxy)pyridin-3-yl]boronic acid;6-(2,2,2-Trifluoroethoxy)pyridin-3-yl-3-boronic acid;
PSA 62.58000
LogP -0.29750

[6-(2,2,2-Trifluoroethoxy)-3-pyridinyl]boronic acid Specification

The [6-(2,2,2-Trifluoroethoxy)-3-pyridinyl]boronic acid, with the CAS registry number 196083-20-2, is also known as Boronic acid, [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]- (9CI). This chemical's molecular formula is C₇H₇BF₃NO₃ and molecular weight is 220.94. What's more, its systematic name is [6-(2,2,2-trifluoroethoxy)-3-pyridyl]boronic acid.

Physical properties of [6-(2,2,2-Trifluoroethoxy)-3-pyridinyl]boronic acid are: (1)ACD/LogP: 1.896; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 12.68; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 199.83; (8)ACD/KOC (pH 7.4): 11.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 62.58 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 42.45 cm³; (15)Molar Volume: 154.89 cm³; (16)Polarizability: 16.829×10^-24cm³; (17)Surface Tension: 40.057 dyne/cm; (18)Density: 1.426 g/cm³; (19)Flash Point: 135.59 °C; (20)Enthalpy of Vaporization: 57.093 kJ/mol; (21)Boiling Point: 300.586 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)OCC(F)(F)F)(O)O
(2)Std. InChI: InChI=1S/C7H7BF3NO3/c9-7(10,11)4-15-6-2-1-5(3-12-6)8(13)14/h1-3,13-14H,4H2
(3)Std. InChIKey: OGBJEQPXZICXNY-UHFFFAOYSA-N

Product Name

[6-(2,2,2-TRIFLUOROETHOXY)PYRIDIN-3-YL]BORONIC ACID

[6-(2,2,2-Trifluoroethoxy)-3-pyridinyl]boronic acid Specification

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