CAS No.662138-96-7,N-Phenyldiethanolamine 2-pyridylboronate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	662138-96-7
Name:	N-Phenyldiethanolamine 2-pyridylboronate

Formula:	C₁₅H₁₇BN₂O₂
Molecular Weight:	268.123
Synonyms:	6-phenyl-2-(pyridin-2-yl)-1,3,6,2-dioxazaborocane;4H-1,3,6,2-Dioxazaborocine, tetrahydro-6-phenyl-2-(2-pyridinyl)-;6-Phenyl-2-(pyridin-2-yl)-1,3,6,2-dioxazaborocane;2-Pyridineboronic acid N-phenyldiethanolamine ester;
EINECS:	145-896-5
Density:	1.161 g/cm³
Melting Point:	>300 °C(lit.)
Boiling Point:	460.471 °C at 760 mmHg
Flash Point:	232.285 °C
Appearance:	White to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	34.59000
LogP:	1.39520

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Specification

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