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Molecule
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
Identifiers
CAS Registry Number
2702-72-9
SMILES
O=C(O)COc1ccc(Cl)cc1Cl.[Na]
InChI Key
UFJKHDMPEUOKGV-UHFFFAOYSA-N
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);
Names and Synonyms
- Sodium (2,4-Dichlorophenoxy)Acetate Systematic Name
- Acetic acid, 2-(2,4-dichlorophenoxy)-, sodium salt (1:1) Synonym
- Acetic acid, (2,4-dichlorophenoxy)-, sodium salt Synonym
- Dikonirt Synonym
- Hormit Synonym
- Pielik E Synonym
- Sodium 2,4-D Synonym
- 2,4-D Sodium salt Synonym
- Spritz-hormit Synonym
- Agrion Synonym
- Fernoxone Synonym
- 2,4-Dichlorophenoxyacetic acid sodium salt Synonym
- Spray-Hormite Synonym
- Sodium (2,4-dichlorophenoxy)acetate Synonym
- Diconirt Synonym
- Diconirt D Synonym
- Dikonirt D Synonym
- Agrion (pesticide) Synonym
- U 46D Synonym
- Dichlordon sodium Synonym
- Sodium diclordon Synonym
- Kar D Synonym
- Taficide Synonym
- Tornado DF Synonym
- 2,4-Dichlorophenoxyacetic acid sodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.03 g/mol | CAS Common Chemistry |
| 244.029 g/mol | RDKit | |
| 245.031 g/mol | chempirical lib | |
| 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 |
| 2.14 | chempirical lib | |
| Molar Refractivity | 55.346800000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 242.95916869199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 244.03 g/mol. Edit any field — others recompute live.
