HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Trifluoromethylisatin
7-(TRIFLUOROMETHYL)ISATIN · 7-(TRIFLUOROMETHYL)-1H-INDOLE-2,3-DIONE · 7-TRIFLUOROMET · 7-Trifluoroisatin · BUTTPARK 24\07-40 · 7-TRIFLUOROMETHYLINDOLE · 7-(Trifluoromethyl)isatin 98% · 7-(Trifluoromethyl)isatin,97%
Identifikatoren & physikalische Daten
| CAS No. | 391-12-8 |
|---|---|
| Summenformel | C9H4F3NO2 |
| Durchschnittliche Molmasse | 215,13 g/mol |
| Monoisotopische Masse | 215,01941303 g/mol |
| SMILES | O=C1Nc2c(cccc2C(F)(F)F)C1=O |
| InChIKey | MXLDJTXXAYVWDF-UHFFFAOYSA-N |
| PubChem CID | 604575 |
| ChEMBL | CHEMBL376435 |
| EC No. | 672-653-5 |
| DTXSID | DTXSID70345455 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 313 |
| Schmelzpunkt | 192-193 |
| Dichte | 1.525±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.43±0.20(Predicted) |
| Farbe | Very Dark Yellow to Brown |
| InChI | InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15) |
| InChIKey | MXLDJTXXAYVWDF-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2C(F)(F)F)C(=O)C1=O |
| CAS Datenbank | 391-12-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, 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)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Zollcode | 2933790090 |
| R-Sätze (R) | 22-36-52 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
7-(Trifluoromethyl)indoline-2,3-dione is an indole derivative as inhibitor of COX-1, COX-2, and catenin.Useful in the treatment of diseases such as: lung cancer, diabetes and Alzheimer disease.