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Titanium bis(triethanolamine)diisopropoxide

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Name

Titanium bis(triethanolamine)diisopropoxide

EINECS 253-153-2
CAS No. 36673-16-2 Density 1,06 g/cm3
Solubility Melting Point
Formula C18H42N2O8Ti Boiling Point 85°C
Molecular Weight 462.40 Flash Point 16°C
Transport Information Appearance
Safety 16-26 Risk Codes 11-36
Molecular Structure Molecular Structure of 36673-16-2 (Titanium,bis[2-[bis(2-hydroxyethyl)amino-kN]ethanolato-kO]bis(2-propanolato)-) Hazard Symbols R11:Highly flammable.; R36/38:Irritating to eyes and skin.;
Synonyms

Ethanol,2,2',2''-nitrilotri-, diester with diisopropyl titanate(IV) (6CI);Ethanol, 2,2',2''-nitrilotris-, titanium complex;AKT 845;Bis(triethanolamine) diisopropyl titanate;Bis(triethanolamino)titaniumdiisopropoxide;Bis[bis(2-hydroxyethyl)aminoethyl] diisopropyl titanate;Diisopropoxytitanium bis(triethanolamine);NSC 5285;TEAT;

 

Titanium bis(triethanolamine)diisopropoxide Specification

The IUPAC name of Titanium bis(triethanolamine)diisopropoxide is 2-[bis(2-hydroxyethyl)amino]ethanolate; propan-2-olate; titanium(4+). With the CAS registry number 36673-16-2, it is also named as Titanium(IV) bis(triethanolaminate) diisoproxide. The product's category is Organometallics, and its other registry numbers are 14789-03-8, 29664-04-8, 39333-78-3, 41536-21-4, 55945-91-0 and 70645-02-2. In addition, its molecular formula is C18H42N2O8Ti and its molecular weight is 462.40. 

The other characteristics of Titanium bis(triethanolamine)diisopropoxide can be summarized as: (1)H-Bond Donor: 4; (2)H-Bond Acceptor: 10; (3)Rotatable Bond Count: 12; (4)Exact Mass: 462.242063; (5)MonoIsotopic Mass: 462.242063; (6)Topological Polar Surface Area: 180; (7)Heavy Atom Count: 29; (8)Complexity: 74.8; (9)Boiling Point: 85 °C; (10)density: 1.06 g/cm3; (11)refractive index: 1.4880; (12)Flash Point: 16 °C.

When you are using this chemical, please be cautious about it as the following: Titanium bis(triethanolamine)diisopropoxide is highly flammable and irritating to eyes. You should keep away from sources of ignition. Moreover, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C
(2)InChI:InChI=1/2C6H14NO3.2C3H7O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-3(2)4;/h2*8-9H,1-6H2;2*3H,1-2H3;/q4*-1;+4/rC18H42N2O8Ti/c1-17(2)27-29(28-18(3)4,25-15-9-19(5-11-21)6-12-22)26-16-10-20(7-13-23)8-14-24/h17-18,21-24H,5-16H2,1-4H3
(3)InChIKey:XAVMMNWPOYCFPU-JTHKPDKKAN
(4)Std. InChI:InChI=1S/2C6H14NO3.2C3H7O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-3(2)4;/h2*8-9H,1-6H2;2*3H,1-2H3;/q4*-1;+4
(5)Std. InChIKey:XAVMMNWPOYCFPU-UHFFFAOYSA-N

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