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CAS No.: | 517874-21-4 |
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Name: | 1,4-BENZODIOXANE-6-BORONIC ACID, PINACOL ESTER |
Molecular Structure: | |
Formula: | C14H19BO4 |
Molecular Weight: | 262.11 |
Synonyms: | 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzodioxine;1,4-Benzodioxin, 2,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;1,4-Benzodioxane-6-boronic acid pinacol ester;2,3-Dihydro-1,4-benzodioxine-6-boronic acid, pinacol ester; |
Density: | 1.13 g/cm3 |
Melting Point: | 54-55 °C |
Boiling Point: | 360.2 °C at 760 mmHg |
Flash Point: | 171.7 °C |
PSA: | 36.92000 |
LogP: | 1.75700 |
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The 1,4-Benzodioxin,2,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 517874-21-4, has the systematic name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzodioxine. And the molecular formula of this chemical is C14H19BO4. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 1,4-Benzodioxin,2,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are as following: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 36.92 Å2; (5)Index of Refraction: 1.52; (6)Molar Refractivity: 70.14 cm3; (7)Molar Volume: 230.5 cm3; (8)Polarizability: 27.8×10-24cm3; (9)Surface Tension: 37.2 dyne/cm ; (10) Density: 1.13 g/cm3; (11)Flash Point: 171.7 °C; (12)Enthalpy of Vaporization: 58.21 kJ/mol; (13)Boiling Point: 360.2 °C at 760 mmHg; (14)Vapour Pressure: 4.67E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OCC1)cc(cc2)B3OC(C)(C)C(O3)(C)C
(2)InChI: InChI=1/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,7-8H2,1-4H3
(3)InChIKey: WIIBAHCYWOUFRM-UHFFFAOYAX