Back to Search
Tetraiodoethylene
CAS: 513-92-8 | C2I4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
513-92-8
Molecular Formula:
C2I4
Molecular Mass:
531.64 g/mol
Names and Synonyms:
Tetraiodoethylene
Ethene, 1,1,2,2-tetraiodo-
Ethylene, tetraiodo-
Ethene, tetraiodo-
1,1,2,2-Tetraiodoethene
Diiodoform
Ethylene periodide
Ethylene tetraiodide
Periodoethene
Tetraiodoethylene
Tetraiodoethene
NSC 66408
Identifiers:
SMILES:
IC(I)=C(I)I
InChI:
InChI=1S/C2I4/c3-1(4)2(5)6
Key Properties
Melting Point
187 °C
CAS Common Chemistry
Density
2.98 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 531.64 g/mol | CAS Common Chemistry |
| 531.6379999999999 g/mol | RDKit | |
| 531.617892 g/mol | RDKit | |
| Density | 2.98 g/cm³ | CAS Common Chemistry |
| 2.983 g/cm3 @ Temp: 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 |
| Molar Refractivity | 63.105999999999995 | RDKit |
