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Molecule
Titanium Tetrachloride
CAS: 7550-45-0 · Cl4Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7550-45-0
- Molecular Formula
- Cl4Ti
- Molecular Mass
- 189.68 g/mol
Identifiers
CAS Registry Number
7550-45-0
SMILES
[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChI Key
XJDNKRIXUMDJCW-UHFFFAOYSA-J
InChI
InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
Names and Synonyms
- Titanium Tetrachloride Common Name
- Titanium chloride (TiCl4) (T-4)- Synonym
- Titanium chloride (TiCl4) Synonym
- Titanium tetrachloride Synonym
- Tetrachlorotitanium Synonym
- Titanium chloride Synonym
- Titanium(IV) chloride Synonym
- TC 36 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.68 g/mol | CAS Common Chemistry |
| 189.679 g/mol | RDKit | |
| 195.715 g/mol | chempirical lib | |
| Density | 1.73 g/cm³ | CAS Common Chemistry |
| 1.726 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_tetrachloride | CAS Common Chemistry |
| Boiling Point | 136.4 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Ti](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=XJDNKRIXUMDJCW-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | -24.1 °C | CAS Common Chemistry |
| Name | Titanium tetrachloride | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.82335702 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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.
External Resources
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MW = 189.68 g/mol; density = 1.730 g/mL. Edit any field — others recompute live.
