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2-(4-Chlorophenoxy)Ethanol
CAS: 1892-43-9 | C8H9ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1892-43-9
Molecular Formula:
C8H9ClO2
Molecular Mass:
172.61 g/mol
Names and Synonyms:
2-(4-Chlorophenoxy)Ethanol
Ethanol, 2-(4-chlorophenoxy)-
Ethanol, 2-(p-chlorophenoxy)-
2-(4-Chlorophenoxy)ethanol
2-(p-Chlorophenoxy)ethanol
Chloro-p-phenoxetol
p-Chlorophenyl monoglycol ether
p-Chlorophenyl glycol ether
Chlorophetanol
Fungisan
p-Chlorophenyl 2-hydroxyethyl ether
Mycotetracid
4-(2-Hydroxyethoxy)chlorobenzene
β-(p-Chlorophenoxy)ethanol
FKE 01
NSC 8133
2-(4-Chlorophenoxy)ethan-1-ol
Identifiers:
SMILES:
OCCOc1ccc(Cl)cc1
InChI:
InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
Key Properties
Boiling Point
178 °C @ Press: 35 Torr
CAS Common Chemistry
Melting Point
28 °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 | 172.61 g/mol | CAS Common Chemistry |
| 172.611 g/mol | RDKit | |
| 172.029107208 g/mol | RDKit | |
| Boiling Point | 178 °C @ Press: 35 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(OCCO)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GEGSSUSEWOHAFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | 2-(4-Chlorophenoxy)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 1.7110999999999998 | RDKit |
| Molar Refractivity | 44.03280000000002 | RDKit |
