Back to Search
Titanium Tetraiodide
CAS: 7720-83-4 | I4Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7720-83-4
Molecular Formula:
I4Ti
Molecular Mass:
555.48 g/mol
Names and Synonyms:
Titanium Tetraiodide
Titanium iodide (TiI4), (T-4)-
Titanium iodide (TiI4)
Titanium tetraiodide
Tetraiodotitanium
Titanium(IV) iodide
Identifiers:
SMILES:
[I-].[I-].[I-].[I-].[Ti+4]
InChI:
InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4
Key Properties
Boiling Point
379 °C
CAS Common Chemistry
Melting Point
150 °C
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 | 555.48 g/mol | CAS Common Chemistry |
| 555.483 g/mol | RDKit | |
| 555.5658383 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_tetraiodide | CAS Common Chemistry |
| Boiling Point | 379 °C | CAS Common Chemistry |
| Canonical SMILES | I[Ti](I)(I)I | CAS Common Chemistry |
| InChI | InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=NLLZTRMHNHVXJJ-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | 150 °C | CAS Common Chemistry |
| Name | Titanium iodide (TiI4), (T-4)- | CAS Common Chemistry |
| Titanium tetraiodide | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -11.9865 | RDKit |
| Molar Refractivity | 0.0 | RDKit |
