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Titanium Hydride
CAS: 7704-98-5 | H2Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7704-98-5
Molecular Formula:
H2Ti
Molecular Mass:
49.88 g/mol
Names and Synonyms:
Titanium Hydride
Titanium hydride (TiH2)
Titanium dihydride
Titanium hydride
Titanium dihydride (TiH2)
Ventron 89183
Titanium hydride (TiH2.0)
TCH 450
Identifiers:
SMILES:
[H].[H].[Ti]
InChI:
InChI=1S/Ti.2H
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 49.88 g/mol | CAS Common Chemistry |
| 49.882999999999996 g/mol | RDKit | |
| 49.963596364 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_hydride | CAS Common Chemistry |
| Canonical SMILES | [TiH2] | CAS Common Chemistry |
| InChI | InChI=1S/Ti.2H | CAS Common Chemistry |
| InChI Key | InChIKey=COEYXIBLSAIEKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Titanium hydride (TiH2) | CAS Common Chemistry |
| Titanium hydride | CAS Common Chemistry | |
| Heavy Atom Count | 1 | 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 | 0.2225 | RDKit |
| Molar Refractivity | 2.224 | RDKit |
