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CAS No.: | 15277-97-1 |
---|---|
Name: | TRIETHANOLAMINE BORATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H12BNO3 |
Molecular Weight: | 156.977 |
Synonyms: | Boron,[2,2',2''-nitrilotriethanolato(3-)]- (8CI);Boron,[[2,2',2''-nitrilotris[ethanolato]](3-)-N,O,O',O'']-, (T-4)-;Ethanol,2,2',2''-nitrilotris-, boron complex;4,6,11-Trioxa-1-aza-5-borabicyclo[3.3.3]undecane;2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane; |
EINECS: | 206-003-5 |
Density: | 1.13 g/cm3 |
Melting Point: | 235-237 °C(lit.) |
Boiling Point: | 149.6 °C at 760 mmHg |
Flash Point: | 44.3 °C |
Appearance: | white to slightly yellow crystals or cryst. powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37 |
PSA: | 124.62000 |
LogP: | -3.78650 |
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The Boron,[[2,2',2''-(nitrilo-κN)tris[ethanolato-κO]](3-)]-, (T-4)-, with the CAS registry number 15277-97-1, is also known as 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane. Its EINECS number is 206-003-5. This chemical's molecular formula is C6H12BNO3 and molecular weight is 156.98. What's more, its systematic name is 4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane.
Physical properties of Boron,[[2,2',2''-(nitrilo-κN)tris[ethanolato-κO]](3-)]-, (T-4)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 30.93 Å2; (5)Index of Refraction: 1.466; (6)Molar Refractivity: 38.31 cm3; (7)Molar Volume: 138.2 cm3; (8)Polarizability: 15.18×10-24cm3; (9)Surface Tension: 33.5 dyne/cm; (10)Density: 1.13 g/cm3; (11)Flash Point: 44.3 °C; (12)Enthalpy of Vaporization: 38.65 kJ/mol; (13)Boiling Point: 149.6 °C at 760 mmHg; (14)Vapour Pressure: 3.99 mmHg at 25°C.
Uses of Boron,[[2,2',2''-(nitrilo-κN)tris[ethanolato-κO]](3-)]-, (T-4)-: it can be used to produce 1-thiophen-2-yl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane at the temperature of 140 °C. It will need reagent NaOEt and solvent dimethylformamide with the reaction time of 28 hours. The yield is about 66%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B12OCCN(CCO1)CCO2
(2)InChI: InChI=1S/C6H12BNO3/c1-4-9-7-10-5-2-8(1)3-6-11-7/h1-6H2
(3)InChIKey: NKPKVNRBHXOADG-UHFFFAOYSA-N