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Chlorotriisopropoxytitanium
CAS: 20717-86-6 | C9H21ClO3Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20717-86-6
Molecular Formula:
C9H21ClO3Ti
Molecular Mass:
260.58 g/mol
Names and Synonyms:
Chlorotriisopropoxytitanium
Titanium, chlorotris(2-propanolato)-, (T-4)-
Titanium, chlorotriisopropoxy-
2-Propanol, titanium complex
(T-4)-Chlorotris(2-propanolato)titanium
Titanium triisopropoxide chloride
Triisopropoxytitanium chloride
Titanium chloride triisopropoxide
Tris(isopropyloxy)titanium chloride
Chlorotriisopropyl titanate
Chlorotriisopropoxytitanium
Monochlorotitanium triisopropoxide
Chlorotitanium tris(isopropoxide)
Chlorotris(isopropanolato)titanium
Chlorotris(isopropoxy)titanium
Triisopropoxycyclochlorotitanium
Triisopropoxychlorotitanium
Chlorotitanium triisopropoxide
Titanium chlorotris(isopropoxide)
Identifiers:
SMILES:
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Ti+4]
InChI:
InChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
Key Properties
Boiling Point
63-66 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
34-36 °C
CAS Common Chemistry
Density
1.09 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 | 260.58 g/mol | CAS Common Chemistry |
| 260.584 g/mol | RDKit | |
| 260.065868512 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.091 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 63-66 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Ti](OC(C)C)(OC(C)C)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=IFMWVBVPVXRZHE-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 34-36 °C | CAS Common Chemistry |
| Name | Chlorotriisopropoxytitanium | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 69.17999999999999 Ų | RDKit |
| LogP | -3.7331999999999965 | RDKit |
| Molar Refractivity | 45.408000000000015 | RDKit |
