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Molecule
1,2-Diiodoethane
CAS: 624-73-7 · C2H4I2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 624-73-7
- Molecular Formula
- C2H4I2
- Molecular Mass
- 281.86 g/mol
Identifiers
CAS Registry Number
624-73-7
SMILES
ICCI
InChI Key
GBBZLMLLFVFKJM-UHFFFAOYSA-N
InChI
InChI=1S/C2H4I2/c3-1-2-4/h1-2H2
Names and Synonyms
- 1,2-Diiodoethane Synonym
- Ethane, 1,2-diiodo- Synonym
- 1,2-Diiodoethane Synonym
- Ethylene iodide Synonym
- Diiodoethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.86 g/mol | CAS Common Chemistry |
| 281.86199999999997 g/mol | RDKit | |
| 281.862 g/mol | RDKit | |
| Density | 2.13 g/cm³ | CAS Common Chemistry |
| 2.132 g/cm3 @ 10 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Diiodoethane | CAS Common Chemistry |
| Boiling Point | 200 °C | CAS Common Chemistry |
| Canonical SMILES | ICCI | CAS Common Chemistry |
| InChI | InChI=1S/C2H4I2/c3-1-2-4/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GBBZLMLLFVFKJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83 °C | CAS Common Chemistry |
| Name | 1,2-Diiodoethane | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.8564 | RDKit |
| Molar Refractivity | 37.77400000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 281.840246128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 281.86 g/mol; density = 2.130 g/mL. Edit any field — others recompute live.
