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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
Names and Synonyms:
Ethyl Iodide
Ethane, iodo-
Iodoethane
Ethyl iodide
Hydriodic ether
1-Iodoethane
Monoiodoethane
NSC 8825
Identifiers:
SMILES:
CCI
InChI:
InChI=1S/C2H5I/c1-2-3/h2H2,1H3
Key Properties
Boiling Point
72 °C
CAS Common Chemistry
Melting Point
-108 °C
CAS Common Chemistry
Density
1.94 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 | 155.97 g/mol | CAS Common Chemistry |
| 155.966 g/mol | RDKit | |
| 155.94359816 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 |
| Ethyl iodide | 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 | RDKit |
