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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
Mercury, (acetato-κO)phenyl-
Phenylmercury acetate
Mercury, (acetato)phenyl-
Mercury, (acetato-O)phenyl-
(Acetato-κO)phenylmercury
Tag 331
Tag HL 331
Acetoxyphenylmercury
Bufen
Contra Creme
Fungitox OR
Liquiphene
Mercuriphenyl acetate
Mersolite 8
Norforms
Phix
PMA
PMAC
PMAS
Quicksan
Scutl
Setrete
Tag
Tag Fungicide
Ziarnik
Antimucin WDR
Benzene, (acetoxymercurio)-
Phenylmercuric acetate
Sanitized SPG
Trigosan
Femma
Mercuron
Verdasan
Neantina
Acetatophenylmercury
PMA 220
Sanmicron
(Acetato-O)phenylmercury
Bufen 30
Mersolite D
Programin
Spruce Seal
Nylmerate
Algimycin 200
Fungicide R
Panomatic
Anticon
Volpar
Meracen
Antimucin WBR
Hexasan
Hexasan (fungicide)
Seed Dressing R
Zaprawa Nasienna R
Mercron
Ruberon
Troysan 30
Mergal A 25
Ceresol
PMA (fungicide)
Troysan PMA 30
Samtol
Lorophyn
Agrosan D
Intercide PMA 18
Intercide 60
Nuodex PMA 18
Acetic acid, phenylmercury deriv.
Parasan
Parasan (bactericide)
Seedtox
NSC 35670
NSC 61321
Agrosan
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 |
