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475250-46-5

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Basic Information
CAS No.: 475250-46-5
Name: 4-(Trifluoromethyl)benzylboronic acid pinacol ester
Molecular Structure:
Molecular Structure of 475250-46-5 (4-(Trifluoromethyl)benzylboronic acid pinacol ester)
Formula: C14H18BF3O2
Molecular Weight: 286.10
Synonyms: 4-(Trifluoromethyl)benzylboronic acid pinacol ester;2-(4-(Trifluoromethyl)benzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
Density: 1.13 g/cm3
Boiling Point: 284.897 °C at 760 mmHg
Flash Point: 126.102 °C
PSA: 18.46000
LogP: 4.14570
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Specification

The systematic name of 4-(Trifluoromethyl)benzylboronic acid pinacol ester is 4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane. With the CAS registry number 475250-46-5, it is also named as 2-(4-(Trifluoromethyl)benzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. In addition, its molecular formula is C14H18BF3O2 and its molecular weight is 286.10.

The other characteristics of 4-(Trifluoromethyl)benzylboronic acid pinacol ester can be summarized as: (1)H bond acceptors: 2; (2)H bond donors: 0; (3)Freely Rotating Bonds: 2; (4)Nominal mass: 286; (5)Average mass: 286.098; (6)Monoisotopic mass: 286.135; (7)Polar Surface Area: 18.46 Å2; (8)Index of Refraction: 1.458; (9)Molar Refractivity: 69.078 cm3; (10)Molar Volume: 253.124 cm3; (11)Polarizability: 27.385×10-24cm3; (12)Surface Tension: 28.32 dyne/cm; (13)Density: 1.13 g/cm3; (14)Flash Point: 126.102 °C; (15)Enthalpy of Vaporization: 50.288 kJ/mol; (16)Boiling Point: 284.897 °C at 760 mmHg; (17)Vapour Pressure: 0.005 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:B1(OC(C(O1)(C)C)(C)C)Cc2ccc(cc2)C(F)(F)F
(2)InChI:InChI=1/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18/h5-8H,9H2,1-4H3
(3)InChIKey:KHVVNJIGKHWRRS-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18/h5-8H,9H2,1-4H3
(5)Std. InChIKey:KHVVNJIGKHWRRS-UHFFFAOYSA-N