HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,1'-(4-Chlorbutyliden)bis[4-fluorbenzol]
RMA-625 · Tech.90% · TMIFRY8XAG · TMIFRY8XAG,TMIFRY-8XAG · TMIFRY8XAG, 10 mM in DMSO · 1,1-Bis(4-fluorophenyl)-4-chlorobutane · 4,4-Bis(4-fluorophenyl)butyl chloride. · 1-chloro-4,4-bis(4-fluorophenyl)butane
![Molekülstruktur von 1,1'-(4-Chlorbutyliden)bis[4-fluorbenzol]](/img/chemical/76820.png)
Identifikatoren & physikalische Daten
| CAS No. | 3312-04-7 |
|---|---|
| Summenformel | C16H15ClF2 |
| Durchschnittliche Molmasse | 280,74 g/mol |
| Monoisotopische Masse | 280,0830346 g/mol |
| SMILES | Fc1ccc(C(CCCCl)c2ccc(F)cc2)cc1 |
| InChIKey | UXXLTPGCINZEFM-UHFFFAOYSA-N |
| PubChem CID | 76820 |
| EC No. | 221-998-6 |
| DTXSID | DTXSID90186781 |
| Lokaler Name | 1,1'-(4-Chlorbutyliden)bis[4-fluorbenzol] |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 221 |
| Siedepunkt | 128 °C (0.1 mmHg) |
| Dichte | 1.2 |
| Dampfdruck | 0.01Pa at 25℃ |
| Brechungsindex | 1.541-1.545 |
| Flammpunkt | 187 °C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)181.3μg/L at 25℃ |
| Aggregatzustand | Oil |
| Farbe | Clear Colorless |
| LogP (Verteilungskoeffizient) | 5.79 at 25℃ |
| CAS Datenbank | 3312-04-7 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 11-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20092 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 29036990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene) is a derivative of Zerumbone with potential anti-tumor effects towards HeLa cancer cells.