HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-4-chloro-6-fluoroaniline
6-BroMo-4-chloro-2-fluoroaniline · 2-BROMO-4-CHLORO-6-FLUOROANILINE · 2-Fluoro-4-Chloro-6-Bromo aniline · 2-Bromo-4-chloro-6-fluoroaniline>2-Bromo-4-chloro-6-fluoroaniline98% · 2-bromo-4-chloro-6-fluorobenzenamine · 2-Bromo-4-chloro-6-fluoroaniline 98% · 2-BROMO-4-CHLORO-6-FLUOROANILINE, 97+% · Benzenamine, 2-bromo-4-chloro-6-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 195191-47-0 |
|---|---|
| Summenformel | C6H4BrClFN |
| Durchschnittliche Molmasse | 224,46 g/mol |
| Monoisotopische Masse | 222,91996713 g/mol |
| SMILES | Nc1c(F)cc(Cl)cc1Br |
| InChIKey | HBHBARSMRVAINH-UHFFFAOYSA-N |
| PubChem CID | 2736222 |
| EC No. | 606-332-8 |
| DTXSID | DTXSID50371212 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 124 |
| Schmelzpunkt | 41-43 °C (lit.) |
| Siedepunkt | 243.0±35.0 °C(Predicted) |
| Dichte | 1.809±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.51±0.10(Predicted) |
| Farbe | Purple to Dark purple to Dark red |
| InChI | InChI=1S/C6H4BrClFN/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2 |
| InChIKey | HBHBARSMRVAINH-UHFFFAOYSA-N |
| SMILES | C1(N)=C(F)C=C(Cl)C=C1Br |
| CAS Datenbank | 195191-47-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29214200 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Bromo-4-chloro-6-fluoroaniline may be used in the preparation of fragment A of an orally bioavailable and CNS penetrant bradykinin1antagonist.