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Molecule
Ammonium Hexachloroiridate(Iv)
CAS: 16940-92-4 · H8Cl6IrN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16940-92-4
- Molecular Formula
- H8Cl6IrN2
- Molecular Mass
- 441.01 g/mol
Identifiers
CAS Registry Number
16940-92-4
SMILES
Cl.Cl.N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+4]
InChI Key
LWNOUTCTZQNGEN-UHFFFAOYSA-J
InChI
InChI=1S/6ClH.Ir.2H3N/h6*1H;;2*1H3/q;;;;;;+4;;/p-4
Names and Synonyms
- Ammonium Hexachloroiridate(Iv) Common Name
- Iridate(2-), hexachloro-, ammonium (1:2), (OC-6-11)- Synonym
- Iridate(2-), hexachloro-, diammonium Synonym
- Iridate(2-), hexachloro-, diammonium, (OC-6-11)- Synonym
- Ammonium hexachloroiridate(IV) Synonym
- Ammonium chloroiridate(IV) Synonym
- Diammonium hexachloroiridate Synonym
- Diammonium hexachloroiridate(2-) Synonym
- Ammonium hexachloroiridate Synonym
- Ammonium iridium chloride ((NH4)2IrCl6) Synonym
- Diammonium iridium hexachloride Synonym
- Ammonium chloroiridate ((NH4)2IrCl6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 441.01 g/mol | CAS Common Chemistry |
| 441.01300000000003 g/mol | RDKit | |
| 441.013 g/mol | RDKit | |
| 448.051 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_hexachloroiridate(IV) | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Ir+4]([Cl-])([Cl-])([Cl-])([Cl-])[Cl-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/6ClH.Ir.2H3N/h6*1H;;2*1H3/q;;;;;;+4;;/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=LWNOUTCTZQNGEN-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Diammonium hexachloroiridate | CAS Common Chemistry |
| Ammonium hexachloroiridate(IV) | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.0 Ų | RDKit |
| LogP | -10.8189 | RDKit |
| Molar Refractivity | 24.54020000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 438.84479073599994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 441.01 g/mol. Edit any field — others recompute live.
