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Molecule
Methylmercury Chloride
CAS: 115-09-3 · CH3ClHg
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 115-09-3
- Molecular Formula
- CH3ClHg
- Molecular Mass
- 251.08 g/mol
Identifiers
CAS Registry Number
115-09-3
SMILES
[CH3].[Cl-].[Hg+]
InChI Key
BABMCXWQNSQAOC-UHFFFAOYSA-M
InChI
InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1
Names and Synonyms
- Methylmercury Chloride Synonym
- Mercury, chloromethyl- Synonym
- Methylmercury chloride Synonym
- Methylmercuric chloride Synonym
- Caspan Synonym
- Monomethyl mercury chloride Synonym
- Chloromethylmercury Synonym
- Mercury methyl chloride Synonym
- Methylmercury monochloride Synonym
- NSC 19998 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.08 g/mol | CAS Common Chemistry |
| 251.962970776 g/mol | RDKit | |
| 251.078 g/mol | RDKit | |
| 253.093 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Hg]C | CAS Common Chemistry |
| InChI | InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=BABMCXWQNSQAOC-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | Methylmercury chloride | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | -2.548209999999999 | RDKit |
| -2.5482 | RDKit | |
| Molar Refractivity | 6.414 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 251.078 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 251.08 g/mol. Edit any field — others recompute live.
