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Molecule
(Benzene)Ruthenium Dichloride Dimer
CAS: 37366-09-9 · C12H12Cl4Ru2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 37366-09-9
- Molecular Formula
- C12H12Cl4Ru2
- Molecular Mass
- 500.18 g/mol
Identifiers
CAS Registry Number
37366-09-9
SMILES
[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].c1ccccc1.c1ccccc1
InChI Key
YGXMUPKIEHNBNQ-UHFFFAOYSA-J
InChI
InChI=1S/2C6H6.4ClH.2Ru/c2*1-2-4-6-5-3-1;;;;;;/h2*1-6H;4*1H;;/q;;;;;;2*+2/p-4
Names and Synonyms
- (Benzene)Ruthenium Dichloride Dimer Common Name
- Ruthenium, bis(η6-benzene)di-μ-chlorodichlorodi- Synonym
- Benzene, ruthenium complex Synonym
- Bis(η6-benzene)di-μ-chlorodichlorodiruthenium Synonym
- (Benzene)dichlororuthenium dimer Synonym
- Benzeneruthenium dichloride dimer Synonym
- Bis(π-benzeneruthenium dichloride) Synonym
- Dibenzenetetrachlorodiruthenium Synonym
- Bis[dichloro[η6-(benzene)]ruthenium] Synonym
- Bis(benzene)tetrachlorodiruthenium Synonym
- Bis(η6-benzene)tetrachlorodiruthenium Synonym
- Bis((η6-benzene)dichlororuthenium) Synonym
- Bis((η6-benzene)chloro(μ-chloro)ruthenium) Synonym
- Benzeneruthenium(II) chloride dimer Synonym
- Bis(benzene)di-μ-chlorodichlorodiruthenium Synonym
- μ-Dichloro-bis(benzenechlororuthenium(II)) Synonym
- Bis[(benzene)dichlororuthenium] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 500.18 g/mol | CAS Common Chemistry |
| 500.18000000000006 g/mol | RDKit | |
| 510.248 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(Benzene)ruthenium_dichloride_dimer | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Ru+2]123456([Cl-][Ru+2]789%10%11([Cl-])([Cl-]1)[CH]=%12[CH]%11=[CH]%10[CH]9=[CH]8[CH]%127)[CH]=%13[CH]6=[CH]5[CH]4=[CH]3[CH]%132 | CAS Common Chemistry |
| InChI | InChI=1S/2C6H6.4ClH.2Ru/c2*1-2-4-6-5-3-1;;;;;;/h2*1-6H;4*1H;;/q;;;;;;2*+2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=YGXMUPKIEHNBNQ-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Bis(η6-benzene)di-μ-chlorodichlorodiruthenium | CAS Common Chemistry |
| (Benzene)ruthenium dichloride dimer | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -8.615800000000016 | RDKit |
| -8.6158 | RDKit | |
| Molar Refractivity | 52.884000000000036 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 499.778009704 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 |
|---|
200 ppm
180
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| 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.
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MW = 500.18 g/mol. Edit any field — others recompute live.
