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Phenylmercury Acetate
CAS: 62-38-4 | C8H8HgO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62-38-4
Molecular Formula:
C8H8HgO2
Molecular Weight:
336.74000000000007 g/mol
Names and Synonyms:
Phenylmercury Acetate
Synonym
Mercury, (acetato-κO)phenyl-
Synonym
Phenylmercury acetate
Synonym
Mercury, (acetato)phenyl-
Synonym
Mercury, (acetato-O)phenyl-
Synonym
(Acetato-κO)phenylmercury
Synonym
Tag 331
Synonym
Tag HL 331
Synonym
Acetoxyphenylmercury
Synonym
Bufen
Synonym
Contra Creme
Synonym
Fungitox OR
Synonym
Liquiphene
Synonym
Mercuriphenyl acetate
Synonym
Mersolite 8
Synonym
Norforms
Synonym
Phix
Synonym
PMA
Synonym
PMAC
Synonym
PMAS
Synonym
Quicksan
Synonym
Scutl
Synonym
Setrete
Synonym
Tag
Synonym
Tag Fungicide
Synonym
Ziarnik
Synonym
Antimucin WDR
Synonym
Benzene, (acetoxymercurio)-
Synonym
Phenylmercuric acetate
Synonym
Sanitized SPG
Synonym
Trigosan
Synonym
Femma
Synonym
Mercuron
Synonym
Verdasan
Synonym
Neantina
Synonym
Acetatophenylmercury
Synonym
PMA 220
Synonym
Sanmicron
Synonym
(Acetato-O)phenylmercury
Synonym
Bufen 30
Synonym
Mersolite D
Synonym
Programin
Synonym
Spruce Seal
Synonym
Nylmerate
Synonym
Algimycin 200
Synonym
Fungicide R
Synonym
Panomatic
Synonym
Anticon
Synonym
Volpar
Synonym
Meracen
Synonym
Antimucin WBR
Synonym
Hexasan
Synonym
Hexasan (fungicide)
Synonym
Seed Dressing R
Synonym
Zaprawa Nasienna R
Synonym
Mercron
Synonym
Ruberon
Synonym
Troysan 30
Synonym
Mergal A 25
Synonym
Ceresol
Synonym
PMA (fungicide)
Synonym
Troysan PMA 30
Synonym
Samtol
Synonym
Lorophyn
Synonym
Agrosan D
Synonym
Intercide PMA 18
Synonym
Intercide 60
Synonym
Nuodex PMA 18
Synonym
Acetic acid, phenylmercury deriv.
Synonym
Parasan
Synonym
Parasan (bactericide)
Synonym
Seedtox
Synonym
NSC 35670
Synonym
NSC 61321
Synonym
Agrosan
Synonym
Identifiers:
SMILES:
CC(=O)[O-].[Hg+].[c]1ccccc1
InChI:
InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 336.74 g/mol | Legacy Database |
| density | 2.40 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phenylmercury_acetate None | Legacy Database |
| cas-canonical-smile | O=C(O[Hg]C=1C=CC=CC1)C None | Legacy Database |
| cas-density | 2.400 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=XEBWQGVWTUSTLN-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 149 °C None | Legacy Database |
| cas-name | Phenylmercuric acetate None | Legacy Database |
| wikipedia-name | Phenylmercury acetate None | Legacy Database |
| LogP | 0.24048999999999987 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 336.74000000000007 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 338.023072496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.129999999999995 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.959 | RDKit |