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Ethylmercury Phosphate
CAS: 2235-25-8 | C2H7HgO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2235-25-8
Molecular Formula:
C2H7HgO4P
Molecular Mass:
326.64 g/mol
Names and Synonyms:
Ethylmercury Phosphate
Mercurate(2-), ethyl[phosphato(3-)-κO]-, hydrogen (1:2)
Mercury, (dihydrogen phosphato)ethyl-
Mercurate(2-), ethyl[phosphato(3-)-O]-, dihydrogen
Ethylmercury phosphate
Mercurate(2-), ethyl[phosphato(3-)-κO]-, dihydrogen
Phosphoric acid, mercury complex
Ethylmercuric phosphate
Lignasan
Ruberon granule
Granosan M
EMP
Ceresan NI
Fusariol universal
Identifiers:
SMILES:
O=P([O-])(O)O.[CH2]C.[Hg+]
InChI:
InChI=1S/C2H5.Hg.H3O4P/c1-2;;1-5(2,3)4/h1H2,2H3;;(H3,1,2,3,4)/q;+1;/p-1
Key Properties
Melting Point
179-180 °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 | 326.64 g/mol | CAS Common Chemistry |
| 326.638 g/mol | RDKit | |
| 327.97883833400005 g/mol | RDKit | |
| Canonical SMILES | [H+].O=P([O-])([O-])O[Hg]CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5.Hg.H3O4P/c1-2;;1-5(2,3)4/h1H2,2H3;;(H3,1,2,3,4)/q;+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZHCJUZJGMJDUKJ-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 179-180 °C | CAS Common Chemistry |
| Name | Ethylmercury phosphate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.59 Ų | RDKit |
| LogP | -0.7227100000000002 | RDKit |
| Molar Refractivity | 23.075099999999992 | RDKit |
