Back to Search
Ethyl 2,4-Dichlorophenoxyacetate
CAS: 533-23-3 | C10H10Cl2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
533-23-3
Molecular Formula:
C10H10Cl2O3
Molecular Mass:
249.09 g/mol
Names and Synonyms:
Ethyl 2,4-Dichlorophenoxyacetate
Acetic acid, 2-(2,4-dichlorophenoxy)-, ethyl ester
Acetic acid, (2,4-dichlorophenoxy)-, ethyl ester
Ethyl 2,4-dichlorophenoxyacetate
Weedone 40
2,4-D ethyl ester
Dicotox
Weedone Concentrate 48
Ethyl 2-(2,4-dichlorophenoxy)acetate
2,4-DEE
Knochweed
Estone 80
Knock Weed
Knock Weed 4G
Bladex C
2,4-PA-ethyl
2,4-Dichlorophenoxyacetic acid ethyl ester
Identifiers:
SMILES:
CCOC(=O)COc1ccc(Cl)cc1Cl
InChI:
InChI=1S/C10H10Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3
Key Properties
Boiling Point
136 °C
CAS Common Chemistry
Melting Point
96-98 °C
CAS Common Chemistry
Density
1.33 g/cm³
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 | 249.09 g/mol | CAS Common Chemistry |
| 249.093 g/mol | RDKit | |
| 248.00069954 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.3262 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 136 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)COC1=CC=C(Cl)C=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H10Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JSLBZIVMVVHMDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96-98 °C | CAS Common Chemistry |
| Name | Ethyl 2,4-dichlorophenoxyacetate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.9353000000000016 | RDKit |
| Molar Refractivity | 58.590000000000025 | RDKit |
