HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-3-nitrobenzotrifluoride
1-bromo-2-nitro-4-(trifluoromethyl)benzene · TIMTEC-BB SBB009903 · 3-nitro-4-broMotrifluorotoluol · 4-BroMo-3-nitro-trifluoroMethyl · 3-NITRO-4-BROMOBENZOTRIFLUORIDE · 4-BROMO-3-NITROBENZOTRIFLUORIDE · 2-Nitro-5-Bromotrifluorotoluene · 4-Bromo-3-nitrobenzotrifluoride99%
Identifikatoren & physikalische Daten
| CAS No. | 349-03-1 |
|---|---|
| Summenformel | C7H3BrF3NO2 |
| Durchschnittliche Molmasse | 270 g/mol |
| Monoisotopische Masse | 268,9299251 g/mol |
| SMILES | O=[N+]([O-])c1cc(C(F)(F)F)ccc1Br |
| InChIKey | PESPBNYBZVIGRO-UHFFFAOYSA-N |
| PubChem CID | 520706 |
| EC No. | 670-406-6 |
| DTXSID | DTXSID60334434 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 228 |
| Siedepunkt | 90 °C (3 mmHg) |
| Dichte | 1.763 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.511(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Amber to Dark green |
| Wichte | 1.763 |
| BRN | 2417762 |
| InChI | 1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H |
| InChIKey | PESPBNYBZVIGRO-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cc(ccc1Br)C(F)(F)F |
| CAS Datenbank | 349-03-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38-20/21/22-36/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36/37/39-26-37/39-36/37 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Bromo-3-nitrobenzotrifluoride may be used to prepare polysubstituted bisheterocycles with potential chemotherapeutic properties.