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Molecule
Diphenylmercury
CAS: 587-85-9 · C12H10Hg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 587-85-9
- Molecular Formula
- C12H10Hg
- Molecular Mass
- 354.8020000000001 g/mol
Identifiers
CAS Registry Number
587-85-9
SMILES
[Hg].[c]1ccccc1.[c]1ccccc1
InChI Key
HWMTUNCVVYPZHZ-UHFFFAOYSA-N
InChI
InChI=1S/2C6H5.Hg/c2*1-2-4-6-5-3-1;/h2*1-5H;
Names and Synonyms
- Diphenylmercury Common Name
- Mercury, diphenyl- Synonym
- Diphenylmercury Synonym
- Benzene, mercuriodi- Synonym
- NSC 23990 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.92 g/cm³ | CAS Common Chemistry |
| 1.916 g/cm3 @ 144 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylmercury | CAS Common Chemistry |
| Canonical SMILES | [Hg](C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/2C6H5.Hg/c2*1-2-4-6-5-3-1;/h2*1-5H; | CAS Common Chemistry |
| InChI Key | InChIKey=HWMTUNCVVYPZHZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C | CAS Common Chemistry |
| Name | Diphenylmercury | CAS Common Chemistry |
| Molecular Mass | 354.8020000000001 g/mol | RDKit |
| 356.04889332 g/mol | RDKit | |
| 354.802 g/mol | RDKit | |
| 357.828 g/mol | chempirical lib | |
| Heavy Atom Count | 13 | 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 | 2.9710800000000006 | RDKit |
| 2.9711 | RDKit | |
| Molar Refractivity | 50.556000000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 354.80 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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20
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 = 354.80 g/mol; density = 1.920 g/mL. Edit any field — others recompute live.
