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CAS No.: | 452972-12-2 |
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Name: | 2-BROMO-3-PYRIDINEBORONIC ACID PINACOL ESTER |
Molecular Structure: | |
Formula: | C11H15BBrNO2 |
Molecular Weight: | 283.961 |
Synonyms: | 2-(2-Bromo-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; |
EINECS: | 279-594-0 |
Density: | 1.345 g/cm3 |
Melting Point: | 28 °C |
Boiling Point: | 353.9 °C at 760 mmHg |
Flash Point: | 167.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 31.35000 |
LogP: | 2.14330 |
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The 2-Bromopyridine-3-boronic acid pinacol ester, with CAS registry number 452972-12-2, belongs to the following product categorie: Boronic acid. It has the systematic name of 2-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. And the chemical formula of this chemical is C11H15BBrNO2.
Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 31.35 Å2; (5)Index of Refraction: 1.527; (6)Molar Refractivity: 64.97 cm3; (7)Molar Volume: 211 cm3; (8)Polarizability: 25.75×10-24cm3; (9)Surface Tension: 39.2 dyne/cm; (10)Enthalpy of Vaporization: 57.53 kJ/mol; (11)Vapour Pressure: 7.08E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Bromopyridine-3-boronic acid pinacol ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cccnc2Br
(2)InChI: InChI=1/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
(3)InChIKey: QAQDSIBZRCSYAR-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H15BBrNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
(5)Std. InChIKey: QAQDSIBZRCSYAR-UHFFFAOYSA-N