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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 Weight:
152.922 g/mol
Names and Synonyms:
Cyanogen iodide
Cyanogen Iodide
Iodine cyanide (I(CN))
Iodine monocyanide (ICN)
Iodine monocyanide
Cyanogen monoiodide
Iodocyanide (ICN)
Iodine cyanide
Identifiers:
SMILES:
N#CI
InChI:
InChI=1S/CIN/c2-1-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.92 g/mol | Legacy Database |
| density | 2.84 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Cyanogen_iodide | Legacy Database | |
| cas-canonical-smile | N#CI | Legacy Database | |
| cas-density | 2.84 g/cm3 @ Temp: 18 °C | Legacy Database | |
| cas-inchi | InChI=1S/CIN/c2-1-3 | Legacy Database | |
| cas-inchi-key | InChIKey=WPBXOELOQKLBDF-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 148 °C | Legacy Database | |
| cas-name | Iodine cyanide | Legacy Database | |
| wikipedia-name | Cyanogen iodide | Legacy Database | |
| LogP | 0.9024800000000001 | RDKit | |
| Molecular | Molecular Weight | 152.922 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.907547 g/mol | RDKit |
| Heavy | Heavy Atom Count | 3 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 23.79 Ų | RDKit |
| Molar | Molar Refractivity | 19.633 | RDKit |
