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Ethyl Succinyl Chloride
CAS: 14794-31-1 | C6H9ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14794-31-1
Molecular Formula:
C6H9ClO3
Molecular Mass:
164.59 g/mol
Names and Synonyms:
Ethyl Succinyl Chloride
Butanoic acid, 4-chloro-4-oxo-, ethyl ester
Propionic acid, 3-(chloroformyl)-, ethyl ester
β-Carbethoxypropionyl chloride
Ethyl succinoyl chloride
Ethyl succinyl chloride
Ethyl 3-(chloroformyl)propionate
β-Ethoxycarbonylpropionyl chloride
3-Carbethoxypropionyl chloride
Ethyl 3-(chlorocarbonyl)propanoate
3-(Ethoxycarbonyl)propanoyl chloride
Ethyl 4-chloro-4-oxobutanoate
Succinic acid ethyl ester chloride
3-(Ethoxycarbonyl)propionyl chloride
Monoethyl succinoyl chloride
Ethyl succinoyl monochloride
Ethyl 4-chloro-4-oxobutyrate
4-Ethoxy-4-oxobutanoic acid chloride
3-Chlorocarbonylpropionic acid ethyl ester
Ethyl 3-chlorocarbonylpropionate
Succinic acid monoethyl chloride
4-Chloro-4-oxobutanoic acid ethyl ester
Succinic acid chloride monoethyl ester
Identifiers:
SMILES:
CCOC(=O)CCC(=O)Cl
InChI:
InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
Key Properties
Boiling Point
94-95 °C @ Press: 14 Torr
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 | 164.59 g/mol | CAS Common Chemistry |
| 164.588 g/mol | RDKit | |
| 164.024021828 g/mol | RDKit | |
| Boiling Point | 94-95 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)CCC(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IXZFDJXHLQQSGQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl succinyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 1.0951 | RDKit |
| Molar Refractivity | 36.727000000000004 | RDKit |
