Back to Search
Molecule
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
- 338.5210000000001 g/mol
Identifiers
CAS Registry Number
102-98-7
SMILES
[H+].[H+].[Hg+2].[O-]B([O-])[O-].[c-]1ccccc1
InChI Key
RLSMDFMZJRPYIM-UHFFFAOYSA-P
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
Names and Synonyms
- Phenylmercuric Borate Common Name
- Mercurate(2-), [orthoborato(3-)-κO]phenyl-, hydrogen (1:2) Synonym
- Mercurate(2-), [orthoborato(3-)-O]phenyl-, dihydrogen Synonym
- Mercury, (dihydrogen borato)phenyl- Synonym
- Mercurate(2-), [orthoborato(3-)-κO]phenyl-, dihydrogen Synonym
- Boric acid (H3BO3), mercury complex Synonym
- Famosept Synonym
- Merfen Synonym
- Metasol BT Synonym
- Phenylmercuric borate Synonym
- PMB Synonym
- Fenosept Synonym
- Phenylmercuriborate Synonym
- Merphen Synonym
- Ryfen Synonym
- Spidox Synonym
- Spidoxol Synonym
- Formasept Synonym
- Exomycol gel Synonym
- NSC 163948 Synonym
- Mercury, (dihydrogen orthoborato)phenyl- Synonym
- Phenylmercury borate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 338.5210000000001 g/mol | RDKit |
| 340.019467484 g/mol | RDKit | |
| 338.521 g/mol | RDKit | |
| 341.545 g/mol | chempirical lib | |
| 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 |
| 69.18 Ų | RDKit | |
| LogP | -2.238509999999999 | RDKit |
| -2.2385 | RDKit | |
| Molar Refractivity | 33.256 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 338.52 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 338.52 g/mol. Edit any field — others recompute live.
