HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole
3-(4-Fluorophenyl)-1 · Fluvastatin Impurity 14 · N-Isopropyl-3-(4-fluorphenyl)indol · 1-ISOPROPYL-3-(4-FLUOROPHENYL)INDOLE · 3-(4-FLUOROPHENYL)-1-ISOPROPYLINDOLE · 1-Isopropyl-3-(4-flrorophenyl)-indole · (4-FLUOROPHENYL)-1-ISOPROPYL-3-INDOLE · 3-(4-fluorophenyl)-1-propan-2-ylindole
Identifikatoren & physikalische Daten
| CAS No. | 93957-49-4 |
|---|---|
| Summenformel | C17H16FN |
| Durchschnittliche Molmasse | 253,31 g/mol |
| Monoisotopische Masse | 253,12667773 g/mol |
| SMILES | CC(C)n1cc(-c2ccc(F)cc2)c2ccccc21 |
| InChIKey | ZDZJOIIBECYKAJ-UHFFFAOYSA-N |
| PubChem CID | 736229 |
| EC No. | 418-790-4 |
| DTXSID | DTXSID00239939 |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 4,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 296 |
| Schmelzpunkt | 96-97°C |
| Siedepunkt | 389.6±25.0 °C(Predicted) |
| Dichte | 1.08±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| Farbe | Off-White Crystalline |
| BRN | 4457093 |
| InChI | InChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3 |
| InChIKey | ZDZJOIIBECYKAJ-UHFFFAOYSA-N |
| SMILES | N1(C(C)C)C2=C(C=CC=C2)C(C2=CC=C(F)C=C2)=C1 |
| CAS Datenbank | 93957-49-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.Warning |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%)Aquatic Chronic 4 (100%)Hazardous to the aquatic environment (chronic) - category 4Aquatic Chronic 4 |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38-53 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-61 |
Anwendungen & Verwendung
Verwenden
Fluvastatin (F601250) derivative.