HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,4-Dichloro-2,5-dihydro-1H-pyrrole-2,5-dione
3,4-DICHLORO-1H-PYRROLE-2,5-DIONE · Dichloromaleimide · 2,3-Dichloromaleimide · Aids018375 · Aids-018375 · DICHLOROMALEINIMIDE · 3,4-dichloromaleimide · 3,4-DICHLOROMALEINIMIDE
Identifiers & Physical Properties
| CAS No. | 1193-54-0 |
|---|---|
| Molecular formula | C4HCl2NO2 |
| Average molar mass | 165.96 g/mol |
| Monoisotopic mass | 164.9384337 g/mol |
| SMILES | O=C1NC(=O)C(Cl)=C1Cl |
| InChIKey | KVBAKSQRUXXHCK-UHFFFAOYSA-N |
| PubChem CID | 14513 |
| ChEBI | CHEBI:184738 |
| EC No. | 873-408-7 |
| DTXSID | DTXSID30152405 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 46.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 199 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Melting point | 175 °C175°C |
| Physical Description | Solid |
| Boiling point | 232.9±40.0 °C(Predicted) |
| Density | 1.4206 (rough estimate) |
| Refractive index | 1.6100 (estimate) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (acidity coefficient) | 4.69±0.60(Predicted) |
| Appearance | Light yellow to yellow Solid |
| CAS DataBase Reference | 1193-54-0 |
| FDA UNII | 6G6K57D4OT |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Toxicity | mouse,LD50,intraperitoneal,31mg/kg (31mg/kg),Archives of Toxicology. Vol. 37, Pg. 15, 1976. |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Toxicity | mouse,LD50,intraperitoneal,31mg/kg (31mg/kg),Archives of Toxicology. Vol. 37, Pg. 15, 1976. |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
3,4-Dichloro-1H-pyrrole-2,5-dione is used in the synthesis of N-aryl- and N-aralkylmaleimides which possesses anti-bacterial properties against Escherichia coli and Staphylococcus aureus.