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Molecule
Phenylmercuric Nitrate
CAS: 55-68-5 · C6H5HgNO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55-68-5
- Molecular Formula
- C6H5HgNO3
- Molecular Mass
- 339.70000000000005 g/mol
Identifiers
CAS Registry Number
55-68-5
SMILES
O=[N+]([O-])[O-].[Hg+].[c]1ccccc1
InChI Key
PDTFCHSETJBPTR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1
Names and Synonyms
- Phenylmercuric Nitrate Common Name
- Mercury, (nitrato-κO)phenyl- Synonym
- Mercury, nitratophenyl- Synonym
- Mercury, (nitrato-O)phenyl- Synonym
- Phenylmercury nitrate Synonym
- (Nitrato-κO)phenylmercury Synonym
- Merphenyl nitrate Synonym
- Mersolite 7 Synonym
- Phe-Mer-Nite Synonym
- Phenalco Synonym
- Phenitol Synonym
- Phenmerzyl nitrate Synonym
- Phenylmercuric nitrate Synonym
- Phenylmercurinitrate Synonym
- Nitratophenylmercury Synonym
- Phenylmercury (II) nitrate Synonym
- NSC 4772 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylmercuric_nitrate | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)O[Hg]C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PDTFCHSETJBPTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-186 °C | CAS Common Chemistry |
| Name | (Nitrato-κO)phenylmercury | CAS Common Chemistry |
| Phenylmercuric nitrate | CAS Common Chemistry | |
| Molecular Mass | 339.70000000000005 g/mol | RDKit |
| 340.99758602 g/mol | RDKit | |
| 339.7 g/mol | RDKit | |
| 342.726 g/mol | chempirical lib | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.2 Ų | RDKit |
| LogP | 1.2451899999999998 | RDKit |
| 1.2452 | RDKit | |
| Molar Refractivity | 35.63940000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 339.70 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 339.70 g/mol. Edit any field — others recompute live.
