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Methyl Succinyl Chloride
CAS: 1490-25-1 | C5H7ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1490-25-1
Molecular Formula:
C5H7ClO3
Molecular Mass:
150.56 g/mol
Names and Synonyms:
Methyl Succinyl Chloride
Butanoic acid, 4-chloro-4-oxo-, methyl ester
Propionic acid, 3-(chloroformyl)-, methyl ester
Carbomethoxypropionyl chloride
Monomethyl succinyl chloride
β-Carbomethoxypropionyl chloride
3-Carbomethoxypropanoyl chloride
3-(Carbomethoxy)propionyl chloride
Methyl succinyl chloride
β-(Methoxycarbonyl)propionyl chloride
Methyl succinate chloride
Methyl 3-(chlorocarbonyl)propionate
Methyl succinate monochloride
Methyl 4-chloro-4-oxobutanoate
4-Chloro-4-oxobutanoic acid methyl ester
3-(Methoxycarbonyl)propionyl chloride
Methyl succinoyl chloride
Methyl 3-(chloroformyl)propionate
3-(Methoxycarbonyl)propanoyl chloride
Methyl 3-(chlorocarbonyl)propanoate
NSC 10757
4-Methoxy-4-oxobutanoic acid chloride
Methyl 4-chloro-4-oxobutyrate
3-Chlorocarbonylpropionic acid methyl ester
Succinic acid monomethyl chloride
4-Methoxy-4-oxobutanoyl chloride
4-Chloro-4-oxobutyric acid methyl ester
Identifiers:
SMILES:
COC(=O)CCC(=O)Cl
InChI:
InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3
Key Properties
Boiling Point
93 °C @ Press: 18 Torr
CAS Common Chemistry
Melting Point
174-176 °C @ Solvent: Dimethylformamide
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 | 150.56 g/mol | CAS Common Chemistry |
| 150.561 g/mol | RDKit | |
| 150.008371764 g/mol | RDKit | |
| Boiling Point | 93 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)CCC(=O)OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SRXOJMOGPYFZKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-176 °C @ Solvent: Dimethylformamide | CAS Common Chemistry |
| Name | Methyl succinyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 0.7049999999999998 | RDKit |
| Molar Refractivity | 32.10999999999999 | RDKit |
