Back to Search
Molecule
2-Chloro-4-Phenylphenol
CAS: 92-04-6 · C12H9ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-04-6
- Molecular Formula
- C12H9ClO
- Molecular Mass
- 204.66 g/mol
Identifiers
CAS Registry Number
92-04-6
SMILES
Oc1ccc(-c2ccccc2)cc1Cl
InChI Key
BZWMYDJJDBFAPE-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
Names and Synonyms
- 2-Chloro-4-Phenylphenol Synonym
- [1,1′-Biphenyl]-4-ol, 3-chloro- Synonym
- 4-Biphenylol, 3-chloro- Synonym
- Phenol, 2-chloro-4-phenyl- Synonym
- 3-Chloro[1,1′-biphenyl]-4-ol Synonym
- 2-Chloro-4-phenylphenol Synonym
- Dowicide 4 Synonym
- 4-Phenyl-2-chlorophenol Synonym
- 2-Chloro-p-phenylphenol Synonym
- 3-Chloro-4-biphenylol Synonym
- o-Chloro-p-phenylphenol Synonym
- Sanidril Synonym
- 4-Hydroxy-3-chlorobiphenyl Synonym
- 3-Chloro-4-hydroxybiphenyl Synonym
- NSC 3858 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.66 g/mol | CAS Common Chemistry |
| 204.656 g/mol | RDKit | |
| 204.653 g/mol | chempirical lib | |
| Boiling Point | 161 °C | CAS Common Chemistry |
| Canonical SMILES | ClC=1C=C(C=CC1O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H | CAS Common Chemistry |
| InChI Key | InChIKey=BZWMYDJJDBFAPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77 °C | CAS Common Chemistry |
| Name | 2-Chloro-4-phenylphenol | 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 | 3.712600000000001 | RDKit |
| 3.7126 | RDKit | |
| Molar Refractivity | 58.552800000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 204.034192588 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.
External Resources
Convert
Quick conversion
MW = 204.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H9ClO.
