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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
Names and Synonyms:
Methylmercury Chloride
Mercury, chloromethyl-
Methylmercury chloride
Methylmercuric chloride
Caspan
Monomethyl mercury chloride
Chloromethylmercury
Mercury methyl chloride
Methylmercury monochloride
NSC 19998
Identifiers:
SMILES:
[CH3].[Cl-].[Hg+]
InChI:
InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1
Key Properties
Melting Point
167 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.08 g/mol | CAS Common Chemistry |
| 251.078 g/mol | RDKit | |
| 251.962970776 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 6.414 | RDKit |
