CAS No.1071-76-7,ZIRCONIUM N-BUTOXIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1071-76-7
Name:	ZIRCONIUM N-BUTOXIDE

Formula:	C₁₆H₃₆O₄Zr
Molecular Weight:	383.68
Synonyms:	1-Butanol,zirconium(4+) salt (9CI);Butyl alcohol, zirconium(4+) salt (8CI);Zirconiumbutoxide (6CI,7CI);Butyl zirconate;Hokuko HZ-OB;Orgatix ZA 65;TBZ (coupling agent);TBZr;Tetrabutyl zirconate;Tetrakis(butoxy)zirconium;Tyzor NBZ;Zirconic acid tetrabutyl ester;Zirconiumbutoxide (Zr(OBu)4);Zirconium butylate;Zirconium tetra(n-butoxide);Zirconiumtetrabutoxide;Zirconium tetrakis(1-butoxide);Zirconium(4+) butoxide;Zirconium(IV) butoxide;
EINECS:	213-995-3
Density:	1.05 g/mL at 20 °C
Boiling Point:	117.7 °C at 760 mmHg
Flash Point:	35 °C
Solubility:	Hydrolyzes in water.
Appearance:	Clear pale yellow viscous liquid
Hazard Symbols:	Xn
Risk Codes:	10-20-41-67-37/38-22
Safety:	16-26-39
Transport Information:	UN 1993 3/PG 3
PSA:	20.23000
LogP:	0.77880

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Specification

The IUPAC name of 1-Butanol, zirconium(4+) salt (4:1) is butan-1-olate; zirconium(4+). With the CAS registry number 1071-76-7, it is also named as Tetrabutoxyzirconium. The product's category is Organic-metal Salt, and the other registry numbers are 216859-08-4; 365494-43-5; 60637-59-4; 73264-99-0. Besides, it is clear pale yellow viscous liquid which should be stored in dry inert gas in closed, cool and dry place. In addition, its molecular formula is C₁₆H₃₆O₄Zr and molecular weight is 383.68.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.72; (6)ACD/BCF (pH 7.4): 2.72; (7)ACD/KOC (pH 5.5): 71.3; (8)ACD/KOC (pH 7.4): 71.3; (9)H bond acceptors: 1; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Density: 1.05 g/mL at 20 °C; (13)Flash Point: 35 °C; (14)Enthalpy of Vaporization: 43.29 kJ/mol; (15)Boiling Point: 117.7 °C at 760 mmHg; (16)Vapour Pressure: 8.52 mmHg at 25 °C; (17)EINECS: 213-995-3.

Usage of 1-Butanol, zirconium(4+) salt (4:1): this chemical can react with chelating agent to form Zirconium hydroxide. It is used for producting nano-zirconia films and powders. Moreover, it is widely used in high-tech new materials fileld such as anti-glare, radiation-proof, anti-static function of electronic screen and oxygen sensor. It is also used in heat resisting inorganic membrane materials and fine ceramics.

When you are using this chemical, please be cautious about it as the following: 1-Butanol, zirconium(4+) salt (4:1) is flammable. Please keep away from sources of ignition. And it is irritating to respiratory system and skin. It is also risk of serious damage to the eyes. You should wear eye / face protection when use it. Additionally, its vapours may cause drowsiness and dizziness. 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+4].[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC
(2)InChI:InChI=1/4C4H9O.Zr/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
(3)InChIKey:BSDOQSMQCZQLDV-UHFFFAOYAN
(4)Std. InChI:InChI=1S/4C4H9O.Zr/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
(5)Std. InChIKey:BSDOQSMQCZQLDV-UHFFFAOYSA-N