Zirconium n-propoxide (23519-77-9)

The IUPAC name of 1-Propanol, zirconium(4+) salt (4:1) is propan-1-olate; zirconium(4+). With the CAS registry number 23519-77-9, it is also named as Zirconium tetrapropanolate. The product's category is Organometallics, and the other registry number is 104814-64-4. Besides, it is yellow-colored liquid with an alcohol-like odor which should be stored in closed container in a cooland dry place. And this chemical is incompatible with acids, bases and oxidizing agents. It also reacts with water to generate toxic or flammable gases. In addition, its molecular formula is C₁₂H₂₈O₄Zr and molecular weight is 327.57.

The other characteristics of this product can be summarized as: (1)EINECS: 245-711-9; (2)ACD/LogP: 0.34; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.34; (5)ACD/LogD (pH 7.4): 0.34; (6)ACD/BCF (pH 5.5): 1.07; (7)ACD/BCF (pH 7.4): 1.07; (8)ACD/KOC (pH 5.5): 36.65; (9)ACD/KOC (pH 7.4): 36.65; (10)H bond acceptors: 1; (11)H bond donors: 1; (12)Freely Rotating Bonds: 2; (13)Density: 1.058 g/mL at 20 °C; (14)Flash Point: 15 °C; (15)Enthalpy of Vaporization: 41.44 kJ/mol; (16)Boiling Point: 95.8 °C at 760 mmHg; (17)Vapour Pressure: 26.3 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 1-Propanol, zirconium(4+) salt (4:1) is flammable. And it is risk of serious damage to the eyes. You should wear eye / face protection when use it. Moreover, its vapours may cause drowsiness and dizziness. And in case of contact with eyes, 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-]CCC.[O-]CCC.[O-]CCC.[O-]CCC
(2)InChI:InChI=1/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4
(3)InChIKey:XPGAWFIWCWKDDL-UHFFFAOYAL
(4)Std. InChI:InChI=1S/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4
(5)Std. InChIKey:XPGAWFIWCWKDDL-UHFFFAOYSA-N