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Molecule
Dihydrogen Hexachloroiridate
CAS: 16941-92-7 · H2Cl6Ir
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16941-92-7
- Molecular Formula
- H2Cl6Ir
- Molecular Mass
- 406.95 g/mol
Identifiers
CAS Registry Number
16941-92-7
SMILES
Cl.Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+4]
InChI Key
PVMMMVHZRGMXED-UHFFFAOYSA-J
InChI
InChI=1S/6ClH.Ir/h6*1H;/q;;;;;;+4/p-4
Names and Synonyms
- Dihydrogen Hexachloroiridate Common Name
- Iridate(2-), hexachloro-, hydrogen (1:2), (OC-6-11)- Synonym
- Iridate(2-), hexachloro-, dihydrogen Synonym
- Iridate(2-), hexachloro-, dihydrogen, (OC-6-11)- Synonym
- Hydrogen hexachloroiridate(IV) Synonym
- Dihydrogen hexachloroiridate(2-) Synonym
- Hexachloroiridic acid Synonym
- Chloroiridic acid Synonym
- Chloroiridic acid (H2IrCl6) Synonym
- Dihydrogen hexachloroiridate Synonym
- Iridium chloride (H2IrCl6) Synonym
- Hexachlorodihydroiridium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 406.95 g/mol | CAS Common Chemistry |
| 406.951 g/mol | RDKit | |
| 413.989 g/mol | chempirical lib | |
| Canonical SMILES | [H+].[Cl-][Ir+4]([Cl-])([Cl-])([Cl-])([Cl-])[Cl-] | CAS Common Chemistry |
| InChI | InChI=1S/6ClH.Ir/h6*1H;/q;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=PVMMMVHZRGMXED-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Dihydrogen hexachloroiridate | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -11.1429 | RDKit |
| Molar Refractivity | 14.495999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 404.791692544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 406.95 g/mol. Edit any field — others recompute live.
