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Molecule
Thallium(I) Iodide
CAS: 7790-30-9 · ITl
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7790-30-9
- Molecular Formula
- ITl
- Molecular Mass
- 331.29 g/mol
Identifiers
CAS Registry Number
7790-30-9
SMILES
[I-].[Tl+]
InChI Key
CMJCEVKJYRZMIA-UHFFFAOYSA-M
InChI
InChI=1S/HI.Tl/h1H;/q;+1/p-1
Names and Synonyms
- Thallium(I) Iodide Common Name
- Thallium iodide (TlI) Synonym
- Thallium monoiodide Synonym
- Thallous iodide Synonym
- Thallium iodide Synonym
- Thallium(1+) iodide Synonym
- Thallium(I) iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 331.29 g/mol | CAS Common Chemistry |
| 331.28700000000003 g/mol | RDKit | |
| 331.8789005 g/mol | RDKit | |
| 333.3 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thallium(I)_iodide | CAS Common Chemistry |
| Boiling Point | 823 °C | CAS Common Chemistry |
| Canonical SMILES | I[Tl] | CAS Common Chemistry |
| InChI | InChI=1S/HI.Tl/h1H;/q;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CMJCEVKJYRZMIA-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 440 °C | CAS Common Chemistry |
| Name | Thallium iodide (TlI) | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | -3.3768000000000002 | RDKit |
| -3.3768 | RDKit | |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 331.287 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 331.29 g/mol. Edit any field — others recompute live.
