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Succinyl Chloride
CAS: 543-20-4 | C4H4Cl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
543-20-4
Molecular Formula:
C4H4Cl2O2
Molecular Weight:
154.98000000000002 g/mol
Names and Synonyms:
Succinyl Chloride
NSC 87873
Succinic dichloride
1,2-Ethanediylbis(chloroformate)
Succinic acid chloride
1,2-Bis(chlorocarbonyl)ethane
Succinoyl dichloride
Succinyl dichloride
Succinoyl chloride
Succinic chloride
Succinic acid dichloride
Succinyl chloride
Butanedioyl dichloride
Identifiers:
SMILES:
O=C(Cl)CCC(=O)Cl
InChI:
InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.98000000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.958834728 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 34.14 Ų | RDKit |
| Physical Properties | LogP | 1.2973999999999999 | RDKit |
| molecular_mass | 154.98 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Succinyl_chloride | Legacy Database | |
| cas-boiling-point | 193.3 °C | Legacy Database | |
| cas-canonical-smile | O=C(Cl)CCC(=O)Cl | Legacy Database | |
| cas-inchi | InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2 | Legacy Database | |
| cas-inchi-key | InChIKey=IRXBNHGNHKNOJI-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 20 °C | Legacy Database | |
| cas-name | Succinyl chloride | Legacy Database | |
| wikipedia-name | Succinyl chloride | Legacy Database | |
| Molar | Molar Refractivity | 30.953999999999994 | RDKit |
