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Molecule
Titanium(Ii) Chloride
CAS: 10049-06-6 · Cl2Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10049-06-6
- Molecular Formula
- Cl2Ti
- Molecular Mass
- 118.77 g/mol
Identifiers
CAS Registry Number
10049-06-6
SMILES
[Cl-].[Cl-].[Ti+2]
InChI Key
ZWYDDDAMNQQZHD-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.Ti/h2*1H;/q;;+2/p-2
Names and Synonyms
- Titanium(Ii) Chloride Common Name
- Titanium chloride (TiCl2) Synonym
- Titanium dichloride Synonym
- Titanium(II) chloride Synonym
- Dichlorotitanium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.77 g/mol | CAS Common Chemistry |
| 118.773 g/mol | RDKit | |
| 122.799 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium(II)_chloride | CAS Common Chemistry |
| Canonical SMILES | Cl[Ti]Cl | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Ti/h2*1H;/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWYDDDAMNQQZHD-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Titanium chloride (TiCl2) | CAS Common Chemistry |
| Titanium(II) chloride | CAS Common Chemistry | |
| Heavy Atom Count | 3 | 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 | -5.9945 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 117.88565166 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 118.77 g/mol. Edit any field — others recompute live.
