The Boron,[[2,2'-(phenylimino-kN)bis[ethanolato-kO]](2-)]-2-pyridinyl-, (T-4)- (9Cl), with the CAS registry number 662138-96-7, has the systematic name of 6-phenyl-2-(pyridin-2-yl)-1,3,6,2-dioxazaborocane. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Boronic ester; Organoborons; Pyridine; Boronate Esters; Boronic Acids and Derivatives; Heteroaryl. And the molecular formula of the chemical is C15H17BN2O2.
The characteristics of Boron,[[2,2'-(phenylimino-kN)bis[ethanolato-kO]](2-)]-2-pyridinyl-, (T-4)- (9Cl) are as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 34.59 Å2; (5)Index of Refraction: 1.578; (6)Molar Refractivity: 76.577 cm3; (7)Molar Volume: 230.869 cm3; (8)Polarizability: 30.358×10-24cm3; (9)Surface Tension: 47.129 dyne/cm; (10)Density: 1.161 g/cm3; (11)Flash Point: 232.285 °C; (12)Enthalpy of Vaporization: 72.115 kJ/mol; (13)Boiling Point: 460.471 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1CCN(CCOB1c2ccccn2)c3ccccc3
(2)InChI: InChI=1/C15H17BN2O2/c1-2-6-14(7-3-1)18-10-12-19-16(20-13-11-18)15-8-4-5-9-17-15/h1-9H,10-13H2
(3)InChIKey: QDIQDVHNUYDVDD-UHFFFAOYAE
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