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Molecule
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
Identifiers
CAS Registry Number
14794-31-1
SMILES
CCOC(=O)CCC(=O)Cl
InChI Key
IXZFDJXHLQQSGQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
Names and Synonyms
- Ethyl Succinyl Chloride Common Name
- Butanoic acid, 4-chloro-4-oxo-, ethyl ester Synonym
- Propionic acid, 3-(chloroformyl)-, ethyl ester Synonym
- β-Carbethoxypropionyl chloride Synonym
- Ethyl succinoyl chloride Synonym
- Ethyl succinyl chloride Synonym
- Ethyl 3-(chloroformyl)propionate Synonym
- β-Ethoxycarbonylpropionyl chloride Synonym
- 3-Carbethoxypropionyl chloride Synonym
- Ethyl 3-(chlorocarbonyl)propanoate Synonym
- 3-(Ethoxycarbonyl)propanoyl chloride Synonym
- Ethyl 4-chloro-4-oxobutanoate Synonym
- Succinic acid ethyl ester chloride Synonym
- 3-(Ethoxycarbonyl)propionyl chloride Synonym
- Monoethyl succinoyl chloride Synonym
- Ethyl succinoyl monochloride Synonym
- Ethyl 4-chloro-4-oxobutyrate Synonym
- 4-Ethoxy-4-oxobutanoic acid chloride Synonym
- 3-Chlorocarbonylpropionic acid ethyl ester Synonym
- Ethyl 3-chlorocarbonylpropionate Synonym
- Succinic acid monoethyl chloride Synonym
- 4-Chloro-4-oxobutanoic acid ethyl ester Synonym
- Succinic acid chloride monoethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.59 g/mol | CAS Common Chemistry |
| 164.588 g/mol | RDKit | |
| 164.585 g/mol | chempirical lib | |
| 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 |
| 43.37 Ų | RDKit | |
| LogP | 1.0951 | RDKit |
| Molar Refractivity | 36.727000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 164.024021828 g/mol | RDKit |
| Boiling Point | 94-95 °C @ 14 Torr | CAS Common Chemistry |
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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40
20
0 ppm
| 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 = 164.59 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9ClO3.
