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Titanium(Iii) Chloride
CAS: 7705-07-9 | Cl3Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7705-07-9
Molecular Formula:
Cl3Ti
Molecular Weight:
154.226 g/mol
Names and Synonyms:
Titanium(Iii) Chloride
Titanium chloride (TiCl3)
Titanium trichloride
Titanous chloride
Titanium(III) chloride
Titanium chloride
TAC 121
Trichlorotitanium
TAC 132
TGY 24
TAS 101
TAC 140
TAC 144
Lynx 900
TEN 12
TOS 17
MSK-TiCl3
TAS 101 (inorganic compound)
Identifiers:
SMILES:
[Cl-].[Cl-].[Cl-].[Ti+3]
InChI:
InChI=1S/3ClH.Ti/h3*1H;/q;;;+3/p-3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.226 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.85450434 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | -8.990499999999999 | RDKit |
| molecular_mass | 154.23 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium(III)_chloride | Legacy Database | |
| cas-canonical-smile | Cl[Ti](Cl)Cl | Legacy Database | |
| cas-inchi | InChI=1S/3ClH.Ti/h3*1H;/q;;;+3/p-3 | Legacy Database | |
| cas-inchi-key | InChIKey=YONPGGFAJWQGJC-UHFFFAOYSA-K | Legacy Database | |
| cas-melting-point | 150-208 °C | Legacy Database | |
| cas-name | Titanium chloride (TiCl3) | Legacy Database | |
| wikipedia-name | Titanium(III) chloride | Legacy Database | |
| Molar | Molar Refractivity | 0.0 | RDKit |
