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Molecule
Titanium(Iii) Chloride
CAS: 7705-07-9 · Cl3Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7705-07-9
- Molecular Formula
- Cl3Ti
- Molecular Mass
- 154.23 g/mol
Identifiers
CAS Registry Number
7705-07-9
SMILES
[Cl-].[Cl-].[Cl-].[Ti+3]
InChI Key
YONPGGFAJWQGJC-UHFFFAOYSA-K
InChI
InChI=1S/3ClH.Ti/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Titanium(Iii) Chloride Synonym
- Titanium chloride (TiCl3) Synonym
- Titanium trichloride Synonym
- Titanous chloride Synonym
- Titanium(III) chloride Synonym
- Titanium chloride Synonym
- TAC 121 Synonym
- Trichlorotitanium Synonym
- TAC 132 Synonym
- TGY 24 Synonym
- TAS 101 Synonym
- TAC 140 Synonym
- TAC 144 Synonym
- Lynx 900 Synonym
- TEN 12 Synonym
- TOS 17 Synonym
- MSK-TiCl3 Synonym
- TAS 101 (inorganic compound) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.23 g/mol | CAS Common Chemistry |
| 154.226 g/mol | RDKit | |
| 159.257 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium(III)_chloride | CAS Common Chemistry |
| Canonical SMILES | Cl[Ti](Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/3ClH.Ti/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=YONPGGFAJWQGJC-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 150-208 °C | CAS Common Chemistry |
| Name | Titanium chloride (TiCl3) | CAS Common Chemistry |
| Titanium(III) chloride | CAS Common Chemistry | |
| Heavy Atom Count | 4 | 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 | -8.990499999999999 | RDKit |
| -8.9905 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 152.85450434 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 154.23 g/mol. Edit any field — others recompute live.
