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CAS No.: | 1073371-93-3 |
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Name: | 2-NITRO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE |
Molecular Structure: | |
Formula: | C11H15BN2O4 |
Molecular Weight: | 250.11 |
Synonyms: | 2-Nitro-5-pyridineboronic acid pinacol ester; |
Density: | 1.19 g/cm3 |
Melting Point: | 155-159 °C |
Boiling Point: | 392.8 °C at 760 mmHg |
Flash Point: | 191.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 77.17000 |
LogP: | 1.81220 |
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The 2-Nitropyridine-5-boronic acid pinacol ester, with the CAS registry number of 1073371-93-3, is also known as 2-Nitro-5-pyridineboronic acid pinacol ester. Its molecular formula is C11H15BN2O4 and molecular weight is 250.06. What's more, its systematic name is 2-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
Physical properties about the 2-Nitropyridine-5-boronic acid pinacol ester are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 77.17 Å2; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 63.28 cm3; (7)Molar Volume: 209.7 cm3; (8)Surface Tension: 42.1 dyne/cm; (9)Density: 1.19 g/cm3; (10)Flash Point: 191.3 °C; (11)Enthalpy of Vaporization: 61.75 kJ/mol; (12)Boiling Point: 392.8 °C at 760 mmHg; (13)Vapour Pressure: 5.06E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ncc(B1OC(C)(C)C(O1)(C)C)cc2
(2) InChI: InChI=1/C11H15BN2O4/c1-10(2)11(3,4)18-12(17-10)8-5-6-9(13-7-8)14(15)16/h5-7H,1-4H3
(3) InChIKey: KEOFPCPNACMWHS-UHFFFAOYAK