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Molecule
Diphenyliodonium Chloride
CAS: 1483-72-3 · C12H10ClI
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1483-72-3
- Molecular Formula
- C12H10ClI
- Molecular Mass
- 316.57 g/mol
Identifiers
CAS Registry Number
1483-72-3
SMILES
[Cl-].c1ccc([I+]c2ccccc2)cc1
InChI Key
RSJLWBUYLGJOBD-UHFFFAOYSA-M
InChI
InChI=1S/C12H10I.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1
Names and Synonyms
- Diphenyliodonium Chloride Synonym
- Iodonium, diphenyl-, chloride (1:1) Synonym
- Iodonium, diphenyl-, chloride Synonym
- Diphenyliodonium chloride Synonym
- Chlorodiphenyliodonium Synonym
- NSC 134275 Synonym
- Diphenyliodinium chloride Synonym
- DPI Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 316.57 g/mol | CAS Common Chemistry |
| 316.569 g/mol | RDKit | |
| 316.566 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].[I+](C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10I.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=RSJLWBUYLGJOBD-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 228-229 °C | CAS Common Chemistry |
| Name | Diphenyliodonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -3.1809999999999965 | RDKit |
| -3.181 | RDKit | |
| Molar Refractivity | 50.27800000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 315.951576 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 = 316.57 g/mol. Edit any field — others recompute live.
