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Titanium
CAS: 7440-32-6 | Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7440-32-6
Molecular Formula:
Ti
Molecular Weight:
47.867 g/mol
Names and Synonyms:
Titanium
CP 40 (metal)
CP 40
TS 1374
TiXos
T 453460
TI 227924
TC 200
TIE 14PB
N 485II
TPP-7
TSH 350
8020 Pure Titan
SYNTHEGRA
TP270H
Tigran PTG
Tigran
TC 450
TS 450 (oxide)
TS 450
SIKA-R 15AX
TI 453441
Vulcano Actives
PTKh 76
Stiktite
Tiporous 45
Tritanium Dimensionalized Metal
Catamold Ti
OKE 80
ER712
ER711
PTKh 2
I 131E
Titan ingot JS3
KS 40
TR 270C
Tritanium
Tritan Til/31
DAT 1
Titan 100
EBT (metal)
TW 340
Titan 20A
TC 459
EBT
N 233
Timet 115
TP 270H
TR 28C
Dentcraft Titan Ingot
M 350
M 350 (metal)
Elgard 210
Alpaste RTA 030
TPS 350
Ventron 00901
Titanium element
TG-Tv
Smelloff-Cutter Titanium
C.P. Titanium
TB 340
Tiunite
DAT 5E
Titanium
Identifiers:
SMILES:
[Ti]
InChI:
InChI=1S/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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 47.867 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 47.9479463 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 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 | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.0025 | RDKit |
| molecular_mass | 47.87 g/mol | Legacy Database |
| density | 4.51 g/cm³ | Legacy Database |
| cas-boiling-point | 3287 °C None | Legacy Database |
| cas-canonical-smile | [Ti] None | Legacy Database |
| cas-density | 4.506 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/Ti None | Legacy Database |
| cas-inchi-key | InChIKey=RTAQQCXQSZGOHL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1668 °C None | Legacy Database |
| cas-name | Titanium None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.0 | RDKit |
