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CAS No.: | 458532-84-8 |
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Name: | 2-Chloropyridine-4-boronic acid pinacol ester |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C11H15BClNO2 |
Molecular Weight: | 239.51 |
Synonyms: | 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; |
Density: | 1.14 g/cm3 |
Melting Point: | 64.7-64.8 °C |
Boiling Point: | 338.2 °C at 760 mmHg |
Flash Point: | 158.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25-36 |
Safety: | 26-45 |
PSA: | 31.35000 |
LogP: | 2.03420 |
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The 2-Chloropyridine-4-boronic acid pinacol ester, with the CAS registry number 458532-84-8, has the systematic name of 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. And the molecular formula of this chemical is C11H15BClNO2. It is a kind of irritant chemical, and belongs to the product categories of Pharmacetical and Heterocyclic Compounds.
The physical properties of 2-Chloropyridine-4-boronic acid pinacol ester are as following: (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: 1.505; (6)Molar Refractivity: 62.08 cm3; (7)Molar Volume: 209.2 cm3; (8)Polarizability: 24.61×10-24cm3; (9)Surface Tension: 36.5 dyne/cm; (10)Density: 1.14 g/cm3; (11)Flash Point: 158.3 °C; (12)Enthalpy of Vaporization: 55.85 kJ/mol; (13)Boiling Point: 338.2 °C at 760 mmHg; (14)Vapour Pressure: 0.000196 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. And it has the risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nccc(B1OC(C)(C)C(O1)(C)C)c2
(2)InChI: InChI=1/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3
(3)InChIKey: UUEQDBHKMOFLDP-UHFFFAOYAS