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Cyanogen Iodide
CAS: 506-78-5 | CIN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
506-78-5
Molecular Formula:
CIN
Molecular Mass:
152.92 g/mol
Names and Synonyms:
Cyanogen Iodide
Iodine cyanide (I(CN))
Cyanogen iodide
Iodine monocyanide (ICN)
Iodine monocyanide
Cyanogen monoiodide
Iodocyanide (ICN)
Iodine cyanide
Identifiers:
SMILES:
N#CI
InChI:
InChI=1S/CIN/c2-1-3
Key Properties
Melting Point
148 °C
CAS Common Chemistry
Density
2.84 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 | 152.92 g/mol | CAS Common Chemistry |
| 152.922 g/mol | RDKit | |
| 152.907547 g/mol | RDKit | |
| Density | 2.84 g/cm³ | CAS Common Chemistry |
| 2.84 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyanogen_iodide | CAS Common Chemistry |
| Canonical SMILES | N#CI | CAS Common Chemistry |
| InChI | InChI=1S/CIN/c2-1-3 | CAS Common Chemistry |
| InChI Key | InChIKey=WPBXOELOQKLBDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148 °C | CAS Common Chemistry |
| Name | Iodine cyanide | CAS Common Chemistry |
| Cyanogen iodide | CAS Common Chemistry | |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 0.9024800000000001 | RDKit |
| Molar Refractivity | 19.633 | RDKit |
