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CAS No.: | 214360-65-3 |
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Name: | 4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER |
Article Data: | 118 |
Molecular Structure: | |
Formula: | C13H16BF3O2 |
Molecular Weight: | 272.075 |
Synonyms: | 4-TRIFLUOROMETHYLPHENYLBORONIC ACID, PINACOL ESTER;4,4,5,5-TETRAMETHYL-2-(4-TRIFLUOROMETHYLPHENYL)-1,3,2-DIOXABOROLANE;2-(4-(trifluoroMethyl)phenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane |
Density: | 1.14g/cm3 |
Melting Point: | 68-69 °C |
Boiling Point: | 291.4 °C at 760 mmHg |
Flash Point: | 130 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 18.46000 |
LogP: | 3.00460 |
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The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-, with CAS registry number 214360-65-3, has the systematic name of 4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane. Besides this, it is also called 4-Trifluoromethylphenylboronic acid, pinacol ester. And the chemical formula of this chemical is C13H16BF3O2.
Physical properties of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)phenyl]-: (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: 1.456; (6)Molar Refractivity: 64.44 cm3; (7)Molar Volume: 236.8 cm3; (8)Polarizability: 25.54×10-24cm3; (9)Surface Tension: 27.7 dyne/cm; (10)Density: 1.14 g/cm3; (11)Flash Point: 130 °C; (12)Enthalpy of Vaporization: 50.95 kJ/mol; (13)Boiling Point: 291.4 °C at 760 mmHg; (14)Vapour Pressure: 0.00342 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc(B1OC(C)(C)C(O1)(C)C)cc2
(2)InChI: InChI=1/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h5-8H,1-4H3
(3)InChIKey: GCQADNWXVSTJQW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h5-8H,1-4H3
(5)Std. InChIKey: GCQADNWXVSTJQW-UHFFFAOYSA-N