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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
Names and Synonyms:
2-Chloro-4-Phenylphenol
[1,1′-Biphenyl]-4-ol, 3-chloro-
4-Biphenylol, 3-chloro-
Phenol, 2-chloro-4-phenyl-
3-Chloro[1,1′-biphenyl]-4-ol
2-Chloro-4-phenylphenol
Dowicide 4
4-Phenyl-2-chlorophenol
2-Chloro-p-phenylphenol
3-Chloro-4-biphenylol
o-Chloro-p-phenylphenol
Sanidril
4-Hydroxy-3-chlorobiphenyl
3-Chloro-4-hydroxybiphenyl
NSC 3858
Identifiers:
SMILES:
Oc1ccc(-c2ccccc2)cc1Cl
InChI:
InChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
Key Properties
Boiling Point
161 °C
CAS Common Chemistry
Melting Point
77 °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 | 204.66 g/mol | CAS Common Chemistry |
| 204.656 g/mol | RDKit | |
| 204.034192588 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 58.552800000000026 | RDKit |
