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Molecule
Tetrachlorobis(Tetrahydrofuran)Titanium
CAS: 31011-57-1 · C8H16Cl4O2Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 31011-57-1
- Molecular Formula
- C8H16Cl4O2Ti
- Molecular Mass
- 333.89 g/mol
Identifiers
CAS Registry Number
31011-57-1
SMILES
C1CCOC1.C1CCOC1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChI Key
LXWBMENBONGPSB-UHFFFAOYSA-J
InChI
InChI=1S/2C4H8O.4ClH.Ti/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4
Names and Synonyms
- Tetrachlorobis(Tetrahydrofuran)Titanium Synonym
- Titanium, tetrachlorobis(tetrahydrofuran)- Synonym
- Tetrachlorobis(tetrahydrofuran)titanium Synonym
- Tetrachlorobis(THF)titanium Synonym
- Titanium tetrachloride bis(tetrahydrofuran) Synonym
- Bis(tetrahydrofuran)tetrachlorotitanium Synonym
- Tetrachlorobis(tetrahydrofuran)titanium (IV) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 333.89 g/mol | CAS Common Chemistry |
| 333.89300000000003 g/mol | RDKit | |
| 333.893 g/mol | RDKit | |
| 339.929 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-][Ti+4]([Cl-])([Cl-])([Cl-])(O1CCCC1)O2CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/2C4H8O.4ClH.Ti/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=LXWBMENBONGPSB-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Tetrachlorobis(tetrahydrofuran)titanium | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | -10.392900000000012 | RDKit |
| -10.3929 | RDKit | |
| Molar Refractivity | 40.10600000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 331.938386772 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 333.89 g/mol. Edit any field — others recompute live.
