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Molecule
Methyl Succinyl Chloride
CAS: 1490-25-1 · C5H7ClO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1490-25-1
- Molecular Formula
- C5H7ClO3
- Molecular Mass
- 150.56 g/mol
Identifiers
CAS Registry Number
1490-25-1
SMILES
COC(=O)CCC(=O)Cl
InChI Key
SRXOJMOGPYFZKC-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3
Names and Synonyms
- Methyl Succinyl Chloride Common Name
- Butanoic acid, 4-chloro-4-oxo-, methyl ester Synonym
- Propionic acid, 3-(chloroformyl)-, methyl ester Synonym
- Carbomethoxypropionyl chloride Synonym
- Monomethyl succinyl chloride Synonym
- β-Carbomethoxypropionyl chloride Synonym
- 3-Carbomethoxypropanoyl chloride Synonym
- 3-(Carbomethoxy)propionyl chloride Synonym
- Methyl succinyl chloride Synonym
- β-(Methoxycarbonyl)propionyl chloride Synonym
- Methyl succinate chloride Synonym
- Methyl 3-(chlorocarbonyl)propionate Synonym
- Methyl succinate monochloride Synonym
- Methyl 4-chloro-4-oxobutanoate Synonym
- 4-Chloro-4-oxobutanoic acid methyl ester Synonym
- 3-(Methoxycarbonyl)propionyl chloride Synonym
- Methyl succinoyl chloride Synonym
- Methyl 3-(chloroformyl)propionate Synonym
- 3-(Methoxycarbonyl)propanoyl chloride Synonym
- Methyl 3-(chlorocarbonyl)propanoate Synonym
- NSC 10757 Synonym
- 4-Methoxy-4-oxobutanoic acid chloride Synonym
- Methyl 4-chloro-4-oxobutyrate Synonym
- 3-Chlorocarbonylpropionic acid methyl ester Synonym
- Succinic acid monomethyl chloride Synonym
- 4-Methoxy-4-oxobutanoyl chloride Synonym
- 4-Chloro-4-oxobutyric acid methyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.56 g/mol | CAS Common Chemistry |
| 150.561 g/mol | RDKit | |
| 150.558 g/mol | chempirical lib | |
| 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 |
| 43.37 Ų | RDKit | |
| LogP | 0.7049999999999998 | RDKit |
| 0.705 | RDKit | |
| Molar Refractivity | 32.10999999999999 cm³/mol | RDKit |
| Formal Charge | 0 | chempirical lib |
| Ring Count | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 150.008371764 g/mol | RDKit |
| Boiling Point | 93 °C @ 18 Torr | CAS Common Chemistry |
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.
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MW = 150.56 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H7ClO3.
