Zirconium,tetrakis[2-[bis(2-hydroxyethyl)amino-kN]ethanolato-kO]- (101033-44-7)

The IUPAC name of Tetrakis(triethanolaminato)zirconium(IV) is 2-[Bis(2-hydroxyethyl)amino]ethanol; zirconium. With the CAS registry number , it is also named as Zirconium, tetrakis(2-(bis(2-hydroxyethyl)amino-kappaN)ethanolato-kappaO)-. The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance], and the other registry number is 779325-63-2. Besides, it is yellowish to brownish liquid, which should be stored in closed container in cool and dry place. And you should ensure that the workplace has good ventilated or exhaust device. In addition, its molecular formula is C₂₄H₅₆N₄O₁₂Zr and molecular weight is 687.9768.

The other characteristics of this product can be summarized as: (1)EINECS: 309-811-7; (2)ACD/LogP: -1.11; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.39; (5)ACD/LogD (pH 7.4): -1.69; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1.57; (10)H bond acceptors: 4; (11)H bond donors: 3; (12)Freely Rotating Bonds: 9; (13)Density: 1.43 g/mL at 25 °C; (14)Flash Point: 185 °C; (15)Enthalpy of Vaporization: 67.02 kJ/mol; (16)Boiling Point: 335.4 °C at 760 mmHg; (17)Vapour Pressure: 8.38E-06 mmHg at 25 °C.

Uses of Tetrakis(triethanolaminato)zirconium(IV): this chemical is used as catalyst for resin crosslinking and surface treatment on pigments to improve binding force and adhesion to substrate surface in adhesives and printing ink industries. And in electronic industry, it is applied to surface treatment for inorganic minerals which can improve dielectric properties of composites, resin binding properties and LCD material properties. Moreover, it can be used as crosslinker in foundry in automotive industry.

When you are using this chemical, please be cautious about it as the following: Tetrakis(triethanolaminato)zirconium(IV) is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Zr].OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO
(2)InChI:InChI=1/4C6H15NO3.Zr/c4*8-4-1-7(2-5-9)3-6-10;/h4*8-10H,1-6H2
(3)InChIKey:ANYRIEBHVNPTQO-UHFFFAOYAN
(4)Std. InChI:InChI=1S/4C6H15NO3.Zr/c4*8-4-1-7(2-5-9)3-6-10;/h4*8-10H,1-6H2
(5)Std. InChIKey:ANYRIEBHVNPTQO-UHFFFAOYSA-N