4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane supplier

Name
3,4,5-TRIFLUOROPHENYLBORONIC ACID, PINACOL ESTER
EINECS
CAS No. 827614-70-0
Article Data7
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄BF₃O₂
Boiling Point 285 °C at 760 mmHg
Molecular Weight 258.048
Flash Point 126.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3,4,5-Trifluorophenyl)boronicacid pinacol ester;
PSA 18.46000
LogP 2.40310

4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane Specification

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

Product Name

3,4,5-TRIFLUOROPHENYLBORONIC ACID, PINACOL ESTER

4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane Specification

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