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CAS No.: | 827614-70-0 |
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Name: | 3,4,5-TRIFLUOROPHENYLBORONIC ACID, PINACOL ESTER |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C12H14BF3O2 |
Molecular Weight: | 258.048 |
Synonyms: | (3,4,5-Trifluorophenyl)boronicacid pinacol ester; |
Density: | 1.17 g/cm3 |
Boiling Point: | 285 °C at 760 mmHg |
Flash Point: | 126.2 °C |
PSA: | 18.46000 |
LogP: | 2.40310 |
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The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-, with the CAS registry number 827614-70-0, is also known as 3,4,5-Trifluorophenylboronic acid pinacol ester. This chemical's molecular formula is C12H14BF3O2 and molecular weight is 258.10. What's more, both its IUPAC name and systematic name are the same which is called 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane.
Physical properties about 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)- 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: 1.457; (6)Molar Refractivity: 59.79 cm3; (7)Molar Volume: 219.2 cm3; (8)Surface Tension: 27.8 dyne/cm; (9)Density: 1.17 g/cm3; (10)Flash Point: 126.2 °C; (11)Enthalpy of Vaporization: 50.3 kJ/mol; (12)Boiling Point: 285 °C at 760 mmHg; (13)Vapour Pressure: 0.00494 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2cc(B1OC(C)(C)C(O1)(C)C)cc(F)c2F
(2) InChI: InChI=1S/C12H14BF3O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,1-4H3
(3) InChIKey: VFCTUUBAONBDJU-UHFFFAOYSA-N