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Molecule
Dalapon Sodium
CAS: 127-20-8 · C3H4Cl2NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 127-20-8
- Molecular Formula
- C3H4Cl2NaO2
- Molecular Mass
- 165.96 g/mol
Identifiers
CAS Registry Number
127-20-8
SMILES
CC(Cl)(Cl)C(=O)O.[Na]
InChI Key
MCCBUOJFZJOBJH-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);
Names and Synonyms
- Dalapon Sodium Synonym
- Propanoic acid, 2,2-dichloro-, sodium salt (1:1) Synonym
- Propionic acid, 2,2-dichloro-, sodium salt Synonym
- Propanoic acid, 2,2-dichloro-, sodium salt Synonym
- Dalapon sodium Synonym
- Dalapon sodium salt Synonym
- α,α-Dichloropropionic acid sodium salt Synonym
- Radapon Synonym
- Sodium Dalapon Synonym
- Sodium α,α-dichloropropionate Synonym
- Sodium 2,2-dichloropropionate Synonym
- Antigramigna Synonym
- Dowpon Synonym
- SYS 67 Omnidel Synonym
- Tafapon Synonym
- Dikopan Synonym
- Basfapon Synonym
- Sodium dichloropropionate Synonym
- 2,2-Dichloropropionic acid sodium salt Synonym
- Sodium 2,2-dichloropropionic acid Synonym
- Gramevin Synonym
- Propinate Synonym
- Omnidel Spezial Synonym
- Omnidel Synonym
- Dowpon S Synonym
- 2,2-DPA Na salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.96 g/mol | CAS Common Chemistry |
| 165.959 g/mol | RDKit | |
| 166.961 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C(Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=MCCBUOJFZJOBJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166.5 °C | CAS Common Chemistry |
| Name | Dalapon sodium | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.8839999999999999 | RDKit |
| 0.884 | RDKit | |
| Molar Refractivity | 33.50079999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 164.948604008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 165.96 g/mol. Edit any field — others recompute live.
