Back to Search
5-Chloro-2-Hydroxybenzenemethanol
CAS: 5330-38-1 | C7H7ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5330-38-1
Molecular Formula:
C7H7ClO2
Molecular Mass:
158.58 g/mol
Names and Synonyms:
5-Chloro-2-Hydroxybenzenemethanol
Benzenemethanol, 5-chloro-2-hydroxy-
Benzyl alcohol, 5-chloro-2-hydroxy-
Saligenin, 5-chloro-
5-Chloro-2-hydroxybenzenemethanol
5-Chloro-2-hydroxybenzyl alcohol
5-Chlorosalicyl alcohol
4-Chloro-2-(hydroxymethyl)phenol
5-Chlorosaligenin
NSC 2468
Identifiers:
SMILES:
OCc1cc(Cl)ccc1O
InChI:
InChI=1S/C7H7ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
Key Properties
Melting Point
93 °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 | 158.58 g/mol | CAS Common Chemistry |
| 158.584 g/mol | RDKit | |
| 158.013457144 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(O)C(=C1)CO | CAS Common Chemistry |
| InChI | InChI=1S/C7H7ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AFPSETMCMFRVPG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93 °C | CAS Common Chemistry |
| Name | 5-Chloro-2-hydroxybenzenemethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.5378999999999998 | RDKit |
| Molar Refractivity | 39.03960000000002 | RDKit |
