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| CAS No.: | 321724-19-0 |
|---|---|
| Name: | Pyrimidine-5-boronic acid pinacol ester |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H15BN2O2 |
| Molecular Weight: | 206.052 |
| Synonyms: | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;Pyrimidyl-5-boronic acid pinacolate;Pinacol ester pyrimidinyl-5-boronic acid; |
| Density: | 1.07 g/cm3 |
| Melting Point: | 60-66 °C |
| Boiling Point: | 308.9 °C at 760 mmHg |
| Flash Point: | 140.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 44.24000 |
| LogP: | 0.77580 |
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Specification
The Pyrimidine-5-boronic acid pinacol ester, with the CAS registry number 321724-19-0, is also known as Pinacol ester pyrimidinyl-5-boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Heterocycles; Boronic Acid. This chemical's molecular formula is C10H15BN2O2 and molecular weight is 206.0493. Its IUPAC name is called 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine. The product should be sealed and stored in cool, dry and well-ventilated place. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Pyrimidine-5-boronic acid pinacol ester: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 1; (3)Index of Refraction: 1.488; (4)Molar Refractivity: 55.05 cm3; (5)Molar Volume: 191 cm3; (6)Surface Tension: 37.5 dyne/cm; (7)Density: 1.07 g/cm3; (8)Flash Point: 140.6 °C; (9)Enthalpy of Vaporization: 52.77 kJ/mol; (10)Boiling Point: 308.9 °C at 760 mmHg; (11)Vapour Pressure: 0.0012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=CN=C2
(2)InChI: InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-12-7-13-6-8/h5-7H,1-4H3
(3)InChIKey: WSRGGSAGSUEJKQ-UHFFFAOYSA-N