Back to Search
Molecule
Ethyl Oxalyl Chloride
CAS: 4755-77-5 · C4H5ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4755-77-5
- Molecular Formula
- C4H5ClO3
- Molecular Mass
- 136.53 g/mol
Identifiers
CAS Registry Number
4755-77-5
SMILES
CCOC(=O)C(=O)Cl
InChI Key
OWZFULPEVHKEKS-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3
Names and Synonyms
- Ethyl Oxalyl Chloride Common Name
- Acetic acid, 2-chloro-2-oxo-, ethyl ester Synonym
- Acetic acid, chlorooxo-, ethyl ester Synonym
- Glyoxylic acid, chloro-, ethyl ester Synonym
- Ethoxalyl chloride Synonym
- Ethyl 2-chloro-2-oxoacetate Synonym
- Oxalic acid monoethyl ester chloride Synonym
- Ethyl chloroglyoxylate Synonym
- Ethyl oxalyl chloride Synonym
- Ethyl chlorooxoacetate Synonym
- Monoethyl oxaloyl chloride Synonym
- Ethyl (chloroformyl)formate Synonym
- Monoethyl oxalate monochloride Synonym
- Oxalic acid monoethyl ester monochloride Synonym
- Monoethyl oxalate chloride Synonym
- Ethyl oxaloyl chloride Synonym
- Oxalic acid ethyl ester chloride Synonym
- Ethyl (chlorocarbonyl)carboxylate Synonym
- Ethyl 2-chloro-2-oxoethanoate Synonym
- Oxalic acid chloride ethyl ester Synonym
- Chloroglyoxylic acid ethyl ester Synonym
- NSC 80644 Synonym
- Chlorooxoacetic acid ethyl ester Synonym
- 1-(Chlorocarbonyl)formic acid ethyl ester Synonym
- Oxalyl chloride ethyl ester Synonym
- Ethoxyoxalyl chloride Synonym
- Ethyl chlorooxalate Synonym
- Ethyl oxalyl monochloride Synonym
- Ethyl clorooxoacetate Synonym
- Ethyl oxalochloridate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.53 g/mol | CAS Common Chemistry |
| 136.534 g/mol | RDKit | |
| 136.531 g/mol | chempirical lib | |
| Boiling Point | 137 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OWZFULPEVHKEKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156-158 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Ethyl oxalyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 0.31489999999999996 | RDKit |
| 0.3149 | RDKit | |
| Molar Refractivity | 27.49299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 135.9927217 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 136.53 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H5ClO3.
