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Titanium Isopropoxide
CAS: 546-68-9 | C3H8OTi
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
546-68-9
Molecular Formula:
C3H8OTi
Molecular Mass:
107.96 g/mol
Names and Synonyms:
Titanium Isopropoxide
2-Propanol, titanium(4+) salt (4:1)
Isopropyl alcohol, titanium(4+) salt
Titanium isopropoxide (Ti(OC3H7)4)
2-Propanol, titanium(4+) salt
Tetraisopropyl titanate
Isopropyl titanate(IV) ((C3H7O)4Ti)
Tetrakis(isopropoxy)titanium
Titanium, tetrakis(1-methylethoxy)-
Titanium tetraisopropylate
Tetraisopropyl orthotitanate
Titanium(4+) isopropoxide
Tetraisopropoxytitanium
Titanium isopropylate
Isopropyl orthotitanate
Titanium tetraisopropoxide
Titanium tetrakis(isopropoxide)
Titanium(IV) isopropoxide
Tyzor TPT
Tetrakis(isopropyloxy)titanium
TPT
Titanium isopropoxide
A 1 (titanate)
A 1
Orgatix TA 10
Titanium tetrakis(iso-propoxide)
Tetraisopropanolatotitanium
Tetrakis(isopropylato)titanium(IV)
Tilcom TIPT
Tetrakis(isopropanolato)titanium
TA 10
Tetraisopropoxytitanium(IV)
5N (titanate)
5N
Vertec TIPT
AKT 872
TPTA 1
Bistrater H-NDH 510C
NDH 510C
TIPT
Vertec XL 110
Vertec RJCE
Vertec XI 900
Titanium(IV) isoproproxide
Orgatix TA 8
Tetrakis(isopropoxide)titanium
JTW-TPT
Identifiers:
SMILES:
CC(C)O.[Ti]
InChI:
InChI=1S/C3H8O.Ti/c1-3(2)4;/h3-4H,1-2H3;
Key Properties
Boiling Point
220 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
20 °C (approx)
CAS Common Chemistry
Density
0.97 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 107.96 g/mol | CAS Common Chemistry |
| 107.963 g/mol | RDKit | |
| 108.005461176 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9711 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_isopropoxide | CAS Common Chemistry |
| Canonical SMILES | [Ti].OC(C)C | CAS Common Chemistry |
| Boiling Point | 220 °C @ Press: 760 Torr | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Ti/c1-3(2)4;/h3-4H,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=LMCBEWMQFKWHGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20 °C (approx) | CAS Common Chemistry |
| Name | Titanium isopropoxide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.3846 | RDKit |
| Molar Refractivity | 17.354800000000004 | RDKit |
Related Molecules
Other compounds with formula C3H8OTi
