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Molecule
Tetraiodoethylene
CAS: 513-92-8 · C2I4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 513-92-8
- Molecular Formula
- C2I4
- Molecular Mass
- 531.64 g/mol
Identifiers
CAS Registry Number
513-92-8
SMILES
IC(I)=C(I)I
InChI Key
ZGQURDGVBSSDNF-UHFFFAOYSA-N
InChI
InChI=1S/C2I4/c3-1(4)2(5)6
Names and Synonyms
- Tetraiodoethylene Common Name
- Ethene, 1,1,2,2-tetraiodo- Synonym
- Ethylene, tetraiodo- Synonym
- Ethene, tetraiodo- Synonym
- 1,1,2,2-Tetraiodoethene Synonym
- Diiodoform Synonym
- Ethylene periodide Synonym
- Ethylene tetraiodide Synonym
- Periodoethene Synonym
- Tetraiodoethylene Synonym
- Tetraiodoethene Synonym
- NSC 66408 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 531.64 g/mol | CAS Common Chemistry |
| 531.6379999999999 g/mol | RDKit | |
| 531.638 g/mol | RDKit | |
| Density | 2.98 g/cm³ | CAS Common Chemistry |
| 2.983 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | IC(I)=C(I)I | CAS Common Chemistry |
| InChI | InChI=1S/C2I4/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=ZGQURDGVBSSDNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 187 °C | CAS Common Chemistry |
| Name | Tetraiodoethylene | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 3.8529999999999998 | RDKit |
| 3.853 | RDKit | |
| Molar Refractivity | 63.105999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 531.617892 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 531.64 g/mol; density = 2.980 g/mL. Edit any field — others recompute live.
