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Sodium Orthophenyl Phenol
CAS: 132-27-4 | C12H10NaO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 132-27-4
- Molecular Formula
- C12H10NaO
- Molecular Mass
- 193.20 g/mol
Identifiers
CAS Registry Number
132-27-4
SMILES
Oc1ccccc1-c1ccccc1.[Na]
InChI Key
UQPLZHUFLPDORW-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;
Names and Synonyms
- Sodium Orthophenyl Phenol Common Name
- [1,1′-Biphenyl]-2-ol, sodium salt (1:1) Synonym
- 2-Biphenylol, sodium salt Synonym
- [1,1′-Biphenyl]-2-ol, sodium salt Synonym
- Phenol, o-phenyl-, sodium deriv. Synonym
- Dowicide A Synonym
- Dowicide Synonym
- 2-Hydroxydiphenyl sodium Synonym
- Natriphene Synonym
- Preventol ON Synonym
- Sodium 2-hydroxydiphenyl Synonym
- Sodium o-phenylphenate Synonym
- Sodium 2-phenylphenate Synonym
- Sodium o-phenylphenolate Synonym
- Sodium o-phenylphenoxide Synonym
- Stopmold B Synonym
- Topane Synonym
- o-Phenylphenol sodium salt Synonym
- 2-Phenylphenol sodium salt Synonym
- SOPP Synonym
- 2-Hydroxybiphenyl sodium salt Synonym
- Sodium 2-biphenylolate Synonym
- Sodium o-phenylphenol Synonym
- Preventol ON extra Synonym
- Dowicide A Flakes Synonym
- Mystox WFA Synonym
- Sodium 2-phenylphenoxide Synonym
- Deccosol Synonym
- o-Hydroxybiphenyl sodium salt Synonym
- Sodium 2-phenylphenol Synonym
- Bactolyse 74880 Synonym
- Microban Additive P 2 Synonym
- Sodium 2-phenylphenoate Synonym
- Microban P 2 Synonym
- Sodium orthophenylphenoxide Synonym
- Sodium orthophenylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.20 g/mol | CAS Common Chemistry |
| 193.20100000000002 g/mol | RDKit | |
| 193.201 g/mol | RDKit | |
| 194.209 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_orthophenyl_phenol | CAS Common Chemistry |
| Canonical SMILES | [Na].OC=1C=CC=CC1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H; | CAS Common Chemistry |
| InChI Key | InChIKey=UQPLZHUFLPDORW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 282 °C | CAS Common Chemistry |
| Name | Sodium o-phenylphenate | CAS Common Chemistry |
| Sodium orthophenyl phenol | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.678400000000001 | RDKit |
| 2.6784 | RDKit | |
| Molar Refractivity | 59.296800000000026 cm³/mol | RDKit |
| Formal Charge | 0 | RDKit |
| Ring Count | 2 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 193.06293422 g/mol | RDKit |
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.
