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| CAS No.: | 214360-51-7 |
|---|---|
| Name: | 4-SULFAMOYLPHENYLBORONIC ACID, PINACOL ESTER |
| Molecular Structure: | |
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| Formula: | C12H18BNO4S |
| Molecular Weight: | 283.156 |
| Synonyms: | 4-Sulphamoylbenzeneboronic acid, pinacol ester; |
| Density: | 1.242 g/cm3 |
| Boiling Point: | 427.143 °C at 760 mmHg |
| Flash Point: | 212.129 °C |
| PSA: | 87.00000 |
| LogP: | 2.41430 |
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Specification
The Benzenesulfonamide, 4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-, with the CAS registry number of 214360-51-7, is also known as 4-Sulphamoylbenzeneboronic acid, pinacol ester. It belongs to the product categories of Aryl; Organoborons; Sulfonamide; Amines; Boron Derivatives; Intermediates; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. This chemical's molecular formula is C12H18BNO4S and molecular weight is 283.15. What's more, its IUPAC name is 4-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzenesulfonamide. In addition, it can be used for preparation of Valdecoxib.
Physical properties about Benzenesulfonamide, 4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 87 Å2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 71.895 cm3; (7)Molar Volume: 228.043 cm3; (8)Polarizability: 28.502×10-24 cm3; (9)Surface Tension: 44.653 dyne/cm; (10)Density: 1.242 g/cm3; (11)Flash Point: 212.129 °C; (12)Enthalpy of Vaporization: 68.207 kJ/mol; (13)Boiling Point: 427.143 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: CC1(C)OB(OC1(C)C)c2ccc(cc2)S(N)(=O)=O
(2) InChI: InChI=1/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)19(14,15)16/h5-8H,1-4H3,(H2,14,15,16)
(3) InChIKey: XDDLLUBKOZYOMY-UHFFFAOYAC