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Molecule
Titanium
CAS: 7440-32-6 · Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7440-32-6
- Molecular Formula
- Ti
- Molecular Mass
- 47.87 g/mol
Identifiers
CAS Registry Number
7440-32-6
SMILES
[Ti]
InChI Key
RTAQQCXQSZGOHL-UHFFFAOYSA-N
InChI
InChI=1S/Ti
Names and Synonyms
- Titanium Common Name
- Titanium Synonym
- DAT 5E Synonym
- Tiunite Synonym
- TB 340 Synonym
- C.P. Titanium Synonym
- Smelloff-Cutter Titanium Synonym
- TG-Tv Synonym
- Titanium element Synonym
- Ventron 00901 Synonym
- TPS 350 Synonym
- Alpaste RTA 030 Synonym
- Elgard 210 Synonym
- M 350 (metal) Synonym
- M 350 Synonym
- Dentcraft Titan Ingot Synonym
- TR 28C Synonym
- TP 270H Synonym
- Timet 115 Synonym
- N 233 Synonym
- EBT Synonym
- TC 459 Synonym
- Titan 20A Synonym
- TW 340 Synonym
- EBT (metal) Synonym
- Titan 100 Synonym
- DAT 1 Synonym
- Tritan Til/31 Synonym
- Tritanium Synonym
- TR 270C Synonym
- KS 40 Synonym
- Titan ingot JS3 Synonym
- I 131E Synonym
- PTKh 2 Synonym
- ER711 Synonym
- ER712 Synonym
- OKE 80 Synonym
- Catamold Ti Synonym
- Tritanium Dimensionalized Metal Synonym
- Tiporous 45 Synonym
- Stiktite Synonym
- PTKh 76 Synonym
- Vulcano Actives Synonym
- TI 453441 Synonym
- SIKA-R 15AX Synonym
- TS 450 Synonym
- TS 450 (oxide) Synonym
- TC 450 Synonym
- Tigran Synonym
- Tigran PTG Synonym
- TP270H Synonym
- SYNTHEGRA Synonym
- 8020 Pure Titan Synonym
- TSH 350 Synonym
- TPP-7 Synonym
- N 485II Synonym
- TIE 14PB Synonym
- TC 200 Synonym
- TI 227924 Synonym
- T 453460 Synonym
- TiXos Synonym
- TS 1374 Synonym
- CP 40 Synonym
- CP 40 (metal) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 47.87 g/mol | CAS Common Chemistry |
| 47.9479463 g/mol | RDKit | |
| 47.867 g/mol | RDKit | |
| 49.883 g/mol | chempirical lib | |
| Density | 4.51 g/cm³ | CAS Common Chemistry |
| 4.506 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 3287 °C | CAS Common Chemistry |
| Canonical SMILES | [Ti] | CAS Common Chemistry |
| InChI | InChI=1S/Ti | CAS Common Chemistry |
| InChI Key | InChIKey=RTAQQCXQSZGOHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1668 °C | CAS Common Chemistry |
| Name | Titanium | 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 | -0.0025 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 47.867 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 47.87 g/mol; density = 4.510 g/mL. Edit any field — others recompute live.
