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Molecule
Zirconium(Iv) Bromide
CAS: 13777-25-8 · Br4Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13777-25-8
- Molecular Formula
- Br4Zr
- Molecular Mass
- 410.84 g/mol
Identifiers
CAS Registry Number
13777-25-8
SMILES
[Br-].[Br-].[Br-].[Br-].[Zr+4]
InChI Key
LSWWNKUULMMMIL-UHFFFAOYSA-J
InChI
InChI=1S/4BrH.Zr/h4*1H;/q;;;;+4/p-4
Names and Synonyms
- Zirconium(Iv) Bromide Synonym
- Zirconium bromide (ZrBr4), (T-4)- Synonym
- Zirconium bromide (ZrBr4) Synonym
- Zirconium tetrabromide Synonym
- Zirconium bromide Synonym
- NSC 151954 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.84 g/mol | CAS Common Chemistry |
| 418.904 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zirconium(IV)_bromide | CAS Common Chemistry |
| Canonical SMILES | Br[Zr](Br)(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/4BrH.Zr/h4*1H;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=LSWWNKUULMMMIL-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Zirconium bromide (ZrBr4), (T-4)- | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -11.9865 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 405.5780528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| 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 = 410.84 g/mol. Edit any field — others recompute live.
