HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-5-nitrobenzotrifluoride
2-Bromo-5-nitrobenzo · Alvocidib Impurity 32 · LABOTEST-BB LT01143236 · Bicalutamide Impurity 5 · Bicalutamide Impurity 3 · Bicalutamide Impurity 10 · Bicalutamide Impurity 20 · 2-Bromo-5-nitrobenzotrifluorid
Identifikatoren & physikalische Daten
| CAS No. | 367-67-9 |
|---|---|
| Summenformel | C7H3BrF3NO2 |
| Durchschnittliche Molmasse | 270 g/mol |
| Monoisotopische Masse | 268,9299251 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1 |
| InChIKey | SXEQQBBOAMHOID-UHFFFAOYSA-N |
| PubChem CID | 136198 |
| EC No. | 609-288-8 |
| DTXSID | DTXSID80190150 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 228 |
| Schmelzpunkt | 41-44 °C (lit.) |
| Siedepunkt | 87-88 °C/3 mmHg (lit.) |
| Dichte | 1.7750 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Green |
| BRN | 2460260 |
| InChI | InChI=1S/C7H3BrF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H |
| InChIKey | SXEQQBBOAMHOID-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C([N+]([O-])=O)C=C1C(F)(F)F |
| CAS Datenbank | 367-67-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 6 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2306 |
| Zollcode | 29049090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 37/39-26-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-nitrobenzotrifluoride may be used in the preparation of:new unsymmetrical diamine monomer containing both the benzimidazole ring and trifluoromethyl group, 6,4′-diamino-2′-trifluoromethyl-2-phenylbenzimidazole2,5-bis[(4-nitro-2-trifluoromethylphenoxy)-phenyl]diphenylphosphine oxide (BNTFDPO)