Titanium(IV) isopropoxide (546-68-9)

The IUPAC name of Titanium tetraisopropanolate is propan-2-olate; titanium(4+). With the CAS registry number 546-68-9, it is also named as Titanium(IV) isopropoxide. The product's categories are Organic-metal salt; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Synthetic Organic Chemistry; Ti (Titanium) Compounds; Titanium Alkoxides, etc. (Homogeneous Catalysts); Transition Metal Compounds. And the other registry numbers are 112797-74-7; 118815-04-6; 119651-13-7; 128796-34-9; 131530-94-4; 147809-57-2; 167709-32-2; 176680-01-6; 186518-71-8; 187601-75-8; 195382-13-9; 198699-88-6; 210407-18-4; 216859-04-0; 244173-55-5; 245654-31-3; 255839-65-7; 259264-35-2; 300564-30-1; 310882-94-1; 347859-73-8; 3651-85-2; 366477-01-2; 408306-55-8; 50336-56-6; 505093-57-2; 518050-49-2; 71515-81-6; 73264-97-8; 917485-01-9; 918419-31-5; 94340-28-0. Besides, it is colourless to light yellow liquid, which should be stored in sealed container in cool and dry place. In addition, it is stable, but incompatible with aqueous solutions, strong acids, strong oxidizing agents. It decomposes in the presence of moisture.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 284.146706; (5)MonoIsotopic Mass: 284.146706; (6)Topological Polar Surface Area: 92.2; (7)Heavy Atom Count: 17; (8)Complexity: 10.8; (9)EINECS: 208-909-6; (10)Density: 0.96 g/mL at 20 °C(lit.); (11)Refractive index: 1.4654-1.4684; (12)Flash point: 46 °C; (13)Melting Point: 20 °C; (14)Boiling Point: 220 °C; (15)FreezingPoint 14.8 °C; (16)log P (octanol-water): 1.030; (17)Water solubility: hydrolysis; (18)Atmospheric OH Rate Constant: 4.87E-11 cm³/molecule-sec at 25 °C.

Preparation of Titanium tetraisopropanolate: please put Titanium tetrachloride, Isopropyl alcohol and liquid Ammonia in Toluene to esterize. And then please filter it to clear Ammonium chloride away. At last, you would get this product by distilling.

Uses of Titanium tetraisopropanolate: this chemical can be used as adhesive for the preparation of metal and rubber, metal and plastic. It also can be used as catalyst in ester exchange reaction and polymerization. Besides, it is used as raw materials in pharmaceutical industry.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is also rritating to eyes, respiratory system and skin. Pleas keep container tightly closed  in a well-ventilated place. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, 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:CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
(2)InChI:InChI=1/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4/rC12H28O4Ti/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3
(3)InChIKey:VXUYXOFXAQZZMF-MISLEXHXAP
(4)Std. InChI:InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
(5)Std. InChIKey:VXUYXOFXAQZZMF-UHFFFAOYSA-N

The toxicity data is as follows:

The IUPAC name of Titanium tetraisopropanolate is propan-2-olate; titanium(4+). With the CAS registry number 546-68-9, it is also named as Titanium(IV) isopropoxide. The product's categories are Organic-metal salt; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Synthetic Organic Chemistry; Ti (Titanium) Compounds; Titanium Alkoxides, etc. (Homogeneous Catalysts); Transition Metal Compounds. And the other registry numbers are 112797-74-7; 118815-04-6; 119651-13-7; 128796-34-9; 131530-94-4; 147809-57-2; 167709-32-2; 176680-01-6; 186518-71-8; 187601-75-8; 195382-13-9; 198699-88-6; 210407-18-4; 216859-04-0; 244173-55-5; 245654-31-3; 255839-65-7; 259264-35-2; 300564-30-1; 310882-94-1; 347859-73-8; 3651-85-2; 366477-01-2; 408306-55-8; 50336-56-6; 505093-57-2; 518050-49-2; 71515-81-6; 73264-97-8; 917485-01-9; 918419-31-5; 94340-28-0. Besides, it is colourless to light yellow liquid, which should be stored in sealed container in cool and dry place. In addition, it is stable, but incompatible with aqueous solutions, strong acids, strong oxidizing agents. It decomposes in the presence of moisture.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 284.146706; (5)MonoIsotopic Mass: 284.146706; (6)Topological Polar Surface Area: 92.2; (7)Heavy Atom Count: 17; (8)Complexity: 10.8; (9)EINECS: 208-909-6; (10)Density: 0.96 g/mL at 20 °C(lit.); (11)Refractive index: 1.4654-1.4684; (12)Flash point: 46 °C; (13)Melting Point: 20 °C; (14)Boiling Point: 220 °C; (15)FreezingPoint 14.8 °C; (16)log P (octanol-water): 1.030; (17)Water solubility: hydrolysis; (18)Atmospheric OH Rate Constant: 4.87E-11 cm³/molecule-sec at 25 °C.

Preparation of Titanium tetraisopropanolate: please put Titanium tetrachloride, Isopropyl alcohol and liquid Ammonia in Toluene to esterize. And then please filter it to clear Ammonium chloride away. At last, you would get this product by distilling.

Uses of Titanium tetraisopropanolate: this chemical can be used as adhesive for the preparation of metal and rubber, metal and plastic. It also can be used as catalyst in ester exchange reaction and polymerization. Besides, it is used as raw materials in pharmaceutical industry.

When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is also rritating to eyes, respiratory system and skin. Pleas keep container tightly closed  in a well-ventilated place. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, 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:CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
(2)InChI:InChI=1/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4/rC12H28O4Ti/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3
(3)InChIKey:VXUYXOFXAQZZMF-MISLEXHXAP
(4)Std. InChI:InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
(5)Std. InChIKey:VXUYXOFXAQZZMF-UHFFFAOYSA-N

The toxicity data is as follows: