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N-Chlorosuccinimide
CAS: 128-09-6 | C4H4ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
128-09-6
Molecular Formula:
C4H4ClNO2
Molecular Weight:
133.534 g/mol
Names and Synonyms:
N-Chlorosuccinimide
2,5-Pyrrolidinedione, 1-chloro-
Succinimide, N-chloro-
1-Chloro-2,5-pyrrolidinedione
N-Chlorosuccinimide
Succinchlorimide
Succinic N-chloroimide
Chlorosuccinimide
NSC 8748
NCS
Identifiers:
SMILES:
O=C1CCC(=O)N1Cl
InChI:
InChI=1S/C4H4ClNO2/c5-6-3(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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.534 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.993056048 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.38 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.2892 | RDKit |
| molecular_mass | 133.53 g/mol | Legacy Database |
| density | 1.65 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Chlorosuccinimide None | Legacy Database |
| cas-boiling-point | 216.5 °C None | Legacy Database |
| cas-canonical-smile | O=C1N(Cl)C(=O)CC1 None | Legacy Database |
| cas-density | 1.65 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JRNVZBWKYDBUCA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 150-151 °C None | Legacy Database |
| cas-name | Chlorosuccinimide None | Legacy Database |
| wikipedia-name | N-Chlorosuccinimide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.93999999999999 | RDKit |
