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Molecule
Hafnium(Iv) Iodide
CAS: 13777-23-6 · HfI4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13777-23-6
- Molecular Formula
- HfI4
- Molecular Mass
- 686.11 g/mol
Identifiers
CAS Registry Number
13777-23-6
SMILES
[Hf+4].[I-].[I-].[I-].[I-]
InChI Key
YCJQNNVSZNFWAH-UHFFFAOYSA-J
InChI
InChI=1S/Hf.4HI/h;4*1H/q+4;;;;/p-4
Names and Synonyms
- Hafnium(Iv) Iodide Synonym
- Hafnium iodide (HfI4) Synonym
- Hafnium tetraiodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 686.11 g/mol | CAS Common Chemistry |
| 687.5644419999999 g/mol | RDKit | |
| 686.106 g/mol | RDKit | |
| 694.17 g/mol | chempirical lib | |
| Density | 5.66 g/cm³ | CAS Common Chemistry |
| 5.663 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hafnium(IV)_iodide | CAS Common Chemistry |
| Boiling Point | 400 °C | CAS Common Chemistry |
| Canonical SMILES | I[Hf](I)(I)I | CAS Common Chemistry |
| InChI | InChI=1S/Hf.4HI/h;4*1H/q+4;;;;/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=YCJQNNVSZNFWAH-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Hafnium iodide (HfI4) | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -11.986500000000001 | RDKit |
| -11.9865 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 686.106 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 686.11 g/mol; density = 5.660 g/mL. Edit any field — others recompute live.
