Back to Search
Rutile (Tio2)
CAS: 1317-80-2 | O2Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1317-80-2
Molecular Formula:
O2Ti
Molecular Weight:
79.865 g/mol
Names and Synonyms:
Rutile (Tio2)
Common Name
R 930-4
Synonym
Longmang 996
Synonym
A 20-13
Synonym
R 20-104
Synonym
NT-GR 150
Synonym
NT-GR 100
Synonym
R 698
Synonym
R 216
Synonym
CR 510
Synonym
R 5566
Synonym
PF 740
Synonym
R 838
Synonym
R 628
Synonym
MBR 9668
Synonym
R-TC 30
Synonym
Baiyuying HTR 668
Synonym
VK-T 06H
Synonym
CR 513
Synonym
ECT 200
Synonym
R 975
Synonym
CW-Ti 001
Synonym
R 2196
Synonym
RX 236
Synonym
R 237 (titania)
Synonym
R 237
Synonym
Titania 595
Synonym
BA 0101
Synonym
R 69
Synonym
BA 101
Synonym
T 595
Synonym
B 2400
Synonym
RCL 595
Synonym
HTTi 04-01
Synonym
R 699
Synonym
R 258
Synonym
GA 120
Synonym
GA 120 (titania)
Synonym
NR 950
Synonym
TR 248
Synonym
Tiona RCL 595
Synonym
CR Super 70
Synonym
SR 237
Synonym
ZR 110 (titania)
Synonym
ZR 110
Synonym
CR 515
Synonym
Tiona 696
Synonym
Lomon R 996
Synonym
RM 301LP
Synonym
RSC 5
Synonym
Titanox 3020
Synonym
TR 700
Synonym
Austiox R-CR
Synonym
β-Rutile
Synonym
Sagenite
Synonym
Unitane OR
Synonym
Rutile
Synonym
Rutile (TiO2)
Synonym
Identifiers:
SMILES:
[O].[O].[Ti]
InChI:
InChI=1S/2O.Ti
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 79.87 g/mol | Legacy Database |
| cas-canonical-smile | O=[Ti]=O None | Legacy Database |
| cas-density | 4.1-4.6 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/2O.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=GWEVSGVZZGPLCZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Rutile (TiO2) None | Legacy Database |
| LogP | -0.2401 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 79.865 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 79.93777553999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 1.373 | RDKit |