Back to Search
Sodium (2,4-Dichlorophenoxy)Acetate
CAS: 2702-72-9 | C8H6Cl2NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2702-72-9
Molecular Formula:
C8H6Cl2NaO3
Molecular Mass:
244.03 g/mol
Names and Synonyms:
Sodium (2,4-Dichlorophenoxy)Acetate
Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1)
Acetic acid, (2,4-dichlorophenoxy)-, sodium salt
Dikonirt
Hormit
Pielik E
Sodium 2,4-D
2,4-D Sodium salt
Spritz-hormit
Agrion
Fernoxone
2,4-Dichlorophenoxyacetic acid sodium salt
Spray-Hormite
Sodium (2,4-dichlorophenoxy)acetate
Diconirt
Diconirt D
Dikonirt D
Agrion (pesticide)
U 46D
Dichlordon sodium
Sodium diclordon
Kar D
Taficide
Tornado DF
2,4-Dichlorophenoxyacetic acid sodium
Identifiers:
SMILES:
O=C(O)COc1ccc(Cl)cc1Cl.[Na]
InChI:
InChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);
Key Properties
Melting Point
160-167 °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 | 244.03 g/mol | CAS Common Chemistry |
| 244.029 g/mol | RDKit | |
| 242.95916869199996 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)COC1=CC=C(Cl)C=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=UFJKHDMPEUOKGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160-167 °C | CAS Common Chemistry |
| Name | Sodium (2,4-dichlorophenoxy)acetate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.076 | RDKit |
| Molar Refractivity | 55.346800000000016 | RDKit |
