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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
Names and Synonyms:
Dalapon Sodium
Propanoic acid, 2,2-dichloro-, sodium salt (1:1)
Propionic acid, 2,2-dichloro-, sodium salt
Propanoic acid, 2,2-dichloro-, sodium salt
Dalapon sodium
Dalapon sodium salt
α,α-Dichloropropionic acid sodium salt
Radapon
Sodium Dalapon
Sodium α,α-dichloropropionate
Sodium 2,2-dichloropropionate
Antigramigna
Dowpon
SYS 67 Omnidel
Tafapon
Dikopan
Basfapon
Sodium dichloropropionate
2,2-Dichloropropionic acid sodium salt
Sodium 2,2-dichloropropionic acid
Gramevin
Propinate
Omnidel Spezial
Omnidel
Dowpon S
2,2-DPA Na salt
Identifiers:
SMILES:
CC(Cl)(Cl)C(=O)O.[Na]
InChI:
InChI=1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);
Key Properties
Melting Point
166.5 °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 | 165.96 g/mol | CAS Common Chemistry |
| 165.959 g/mol | RDKit | |
| 164.948604008 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 33.50079999999999 | RDKit |
