HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloroisatin
4-CHLOROISATIN · BUTTPARK 50\07-90 · 4-CHLOROINDOLE-2,3-DIONE · 4-CHLORO-2,3-INDOLINEDIONE · 4-Chloro-(1H)-indole-2,3-dione · 1H-Indole-2,3-dione, 4-chloro- · 4-Chloro-2,3-dihydro-1H-indole-2,3-dione · 4-chloro-1H-indole-2,3-dione(SALTDATA: FREE)
Identifikatoren & physikalische Daten
| CAS No. | 6344-05-4 |
|---|---|
| Summenformel | C8H4ClNO2 |
| Durchschnittliche Molmasse | 181,57 g/mol |
| Monoisotopische Masse | 180,99305605 g/mol |
| SMILES | O=C1Nc2cccc(Cl)c2C1=O |
| InChIKey | HSYFISNDMZKGRS-UHFFFAOYSA-N |
| PubChem CID | 96047 |
| ChEMBL | CHEMBL376228 |
| EC No. | 879-789-6 |
| DTXSID | DTXSID90212852 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 241 |
| Schmelzpunkt | 258 °C |
| Dichte | 1.519±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Dimethylformamide |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 9.44±0.20(Predicted) |
| Farbe | Light yellow to Brown |
| CAS Datenbank | 6344-05-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (50%) |
| Zollcode | 2933998090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Chloroisatin is an isatic acid derivative that performs a plant growth-regulating activity. Isatin compounds also performs selective inhibitory functions against carboxylesterases.