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Molecule
Carbon Tetraiodide
CAS: 507-25-5 · CI4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 507-25-5
- Molecular Formula
- CI4
- Molecular Mass
- 519.63 g/mol
Identifiers
CAS Registry Number
507-25-5
SMILES
IC(I)(I)I
InChI Key
JOHCVVJGGSABQY-UHFFFAOYSA-N
InChI
InChI=1S/CI4/c2-1(3,4)5
Names and Synonyms
- Carbon Tetraiodide Synonym
- Methane, tetraiodo- Synonym
- Carbon tetraiodide Synonym
- Tetraiodomethane Synonym
- Carbon iodide (CI4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 519.63 g/mol | CAS Common Chemistry |
| 519.627 g/mol | RDKit | |
| Density | 4.50 g/cm³ | CAS Common Chemistry |
| 4.50 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbon_tetraiodide | CAS Common Chemistry |
| Canonical SMILES | IC(I)(I)I | CAS Common Chemistry |
| InChI | InChI=1S/CI4/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=JOHCVVJGGSABQY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171 °C | CAS Common Chemistry |
| Name | Tetraiodomethane | 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 | 3.3377 | RDKit |
| Molar Refractivity | 58.81099999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 519.617892 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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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Quick conversion
MW = 519.63 g/mol; density = 4.500 g/mL. Edit any field — others recompute live.
