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1003846-21-6

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CAS No.: 1003846-21-6
Name: 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester
Article Data: 22
Molecular Structure:
Molecular Structure of 1003846-21-6 (1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester)
Formula: C14H23BN2O3
Molecular Weight: 278.159
Synonyms: 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester;1-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-(2-Tetrahydropyranyl)-1...;1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(SALTDATA: FREE);1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-boronic acid, pinacol ester;1-(oxan-2-yl)-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Tetrahydropyran-2-yl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-(tetrahydro-2H-pyran-2-yl)-4-(4
Density: 1.161 g/cm3
Boiling Point: 413.793 °C at 760 mmHg
Flash Point: 204.055 °C
PSA: 45.51000
LogP: 1.88140
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Specification

The 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester, with the CAS registry number 1003846-21-6, is also known as 1H-Pyrazole, 1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-. This chemical's molecular formula is C14H23BN2O3 and molecular weight is 296.17. What's more, its systematic name is 1-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Physical properties of 1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid pinacol ester are: (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 45.51 Å2; (5)Index of Refraction: 1.545; (6)Molar Refractivity: 75.755 cm3; (7)Molar Volume: 239.681 cm3; (8)Polarizability: 30.032×10-24cm3; (9)Surface Tension: 37.7 dyne/cm; (10)Density: 1.161 g/cm3; (11)Flash Point: 204.055 °C; (12)Enthalpy of Vaporization: 64.074 kJ/mol; (13)Boiling Point: 413.793 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)C3CCCCO3
(2)Std. InChI: InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12/h9-10,12H,5-8H2,1-4H3
(3)Std. InChIKey: YYSLAWXDXHVRHU-UHFFFAOYSA-N