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Phenylmercuric Borate
CAS: 102-98-7 | C6H7BHgO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-98-7
Molecular Formula:
C6H7BHgO3
Molecular Mass:
338.52 g/mol
Names and Synonyms:
Phenylmercuric Borate
Mercurate(2-), [orthoborato(3-)-κO]phenyl-, hydrogen (1:2)
Mercurate(2-), [orthoborato(3-)-O]phenyl-, dihydrogen
Mercury, (dihydrogen borato)phenyl-
Mercurate(2-), [orthoborato(3-)-κO]phenyl-, dihydrogen
Boric acid (H3BO3), mercury complex
Famosept
Merfen
Metasol BT
Phenylmercuric borate
PMB
Fenosept
Phenylmercuriborate
Merphen
Ryfen
Spidox
Spidoxol
Formasept
Exomycol gel
NSC 163948
Mercury, (dihydrogen orthoborato)phenyl-
Phenylmercury borate
Identifiers:
SMILES:
[H+].[H+].[Hg+2].[O-]B([O-])[O-].[c-]1ccccc1
InChI:
InChI=1S/C6H5.BO3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/q-1;-3;+2/p+2
Key Properties
Melting Point
112.5 °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 | 338.52 g/mol | CAS Common Chemistry |
| 338.5210000000001 g/mol | RDKit | |
| 340.019467484 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylmercuric_borate | CAS Common Chemistry |
| Canonical SMILES | [H+].[O-]B([O-])[O-][Hg+2][C-]=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5.BO3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/q-1;-3;+2/p+2 | CAS Common Chemistry |
| InChI Key | InChIKey=RLSMDFMZJRPYIM-UHFFFAOYSA-P | CAS Common Chemistry |
| Melting Point | 112.5 °C | CAS Common Chemistry |
| Name | Phenylmercuric borate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.17999999999999 Ų | RDKit |
| LogP | -2.238509999999999 | RDKit |
| Molar Refractivity | 33.256 | RDKit |
