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69807-91-6

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Basic Information
CAS No.: 69807-91-6
Name: 3,5-Bis(trifluoroMethyl)phenylboronic acid pinacol ester
Article Data: 47
Molecular Structure:
Molecular Structure of 69807-91-6 (3,5-Bis(trifluoroMethyl)phenylboronic acid pinacol ester)
Formula: C14H15BF6O2
Molecular Weight: 340.073
Synonyms: 3,5-Bis(trifluoromethyl)phenylboronic acid, pinacol ester;
Density: 1.268 g/cm3
Melting Point: 65.0 to 69.0 °C
Boiling Point: 293.473 °C at 760 mmHg
Flash Point: 131.288 °C
PSA: 18.46000
LogP: 4.02340
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Specification

The 1,3,2-Dioxaborolane,2-[3,5-bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-, with the CAS registry number 69807-91-6, is also known as 3,5-Bis(trifluoromethyl)phenylboronic acid, pinacol ester. This chemical's molecular formula is C14H15BF6O2 and molecular weight is 340.11. What's more, both its IUPAC name and systematic name are the same which is called 2-[3,5-Bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Physical properties about 1,3,2-Dioxaborolane,2-[3,5-bis(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl- are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.431; (6)Molar Refractivity: 69.438 cm3; (7)Molar Volume: 268.125 cm3; (8)Surface Tension: 26.067 dyne/cm; (9)Density: 1.268 g/cm3; (10)Flash Point: 131.288 °C; (11)Enthalpy of Vaporization: 51.17 kJ/mol; (12)Boiling Point: 293.473 °C at 760 mmHg; (13)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2cc(B1OC(C)(C)C(O1)(C)C)cc(c2)C(F)(F)F
(2) InChI: InChI=1S/C14H15BF6O2/c1-11(2)12(3,4)23-15(22-11)10-6-8(13(16,17)18)5-9(7-10)14(19,20)21/h5-7H,1-4H3
(3) InChIKey: GGMXSSNJKVWXMD-UHFFFAOYSA-N