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Molecule
Ethyl Iodide
CAS: 75-03-6 · C2H5I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-03-6
- Molecular Formula
- C2H5I
- Molecular Mass
- 155.97 g/mol
Identifiers
CAS Registry Number
75-03-6
SMILES
CCI
InChI Key
HVTICUPFWKNHNG-UHFFFAOYSA-N
InChI
InChI=1S/C2H5I/c1-2-3/h2H2,1H3
Names and Synonyms
- Ethyl Iodide Common Name
- Ethane, iodo- Synonym
- Iodoethane Synonym
- Ethyl iodide Synonym
- Hydriodic ether Synonym
- 1-Iodoethane Synonym
- Monoiodoethane Synonym
- NSC 8825 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.97 g/mol | CAS Common Chemistry |
| 155.966 g/mol | RDKit | |
| Density | 1.94 g/cm³ | CAS Common Chemistry |
| 1.9358 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_iodide | CAS Common Chemistry |
| Boiling Point | 72 °C | CAS Common Chemistry |
| Canonical SMILES | ICC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5I/c1-2-3/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HVTICUPFWKNHNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -108 °C | CAS Common Chemistry |
| Name | Iodoethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 1.4413 | RDKit |
| Molar Refractivity | 24.560999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 155.94359816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 155.97 g/mol; density = 1.940 g/mL. Edit any field — others recompute live.
