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Molecule
Phenylmercury Chloride
CAS: 100-56-1 · C6H5ClHg
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-56-1
- Molecular Formula
- C6H5ClHg
- Molecular Mass
- 313.15 g/mol
Identifiers
CAS Registry Number
100-56-1
SMILES
[Cl-].[Hg+].[c]1ccccc1
InChI Key
AWGTVRDHKJQFAX-UHFFFAOYSA-M
InChI
InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
Names and Synonyms
- Phenylmercury Chloride Common Name
- Mercury, chlorophenyl- Synonym
- Phenylmercury chloride Synonym
- Chlorophenylmercury Synonym
- Merfazin Synonym
- Mersolite 2 Synonym
- Phenyl chloromercury Synonym
- PMC Synonym
- Benzene, (chloromercurio)- Synonym
- Phenylmercuric chloride Synonym
- Hexason Synonym
- Agrenal Synonym
- Agronal Synonym
- Mercutal Synonym
- PMC (fungicide) Synonym
- Phenylmercury(II) chloride Synonym
- Monophenylmercury chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 313.15 g/mol | CAS Common Chemistry |
| 313.97862084 g/mol | RDKit | |
| 313.149 g/mol | RDKit | |
| 316.172 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Hg]C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=AWGTVRDHKJQFAX-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 250-252 °C | CAS Common Chemistry |
| Name | Phenylmercury chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -1.511709999999999 | RDKit |
| -1.5117 | RDKit | |
| Molar Refractivity | 25.277999999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 313.149 g/mol | RDKit |
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 |
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200 ppm
180
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100
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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 = 313.15 g/mol. Edit any field — others recompute live.
