HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2779367Erstellt: 27. Oktober 2026
5-Bromo-2-(trifluoromethoxy)aniline
5-Bromo-2-(trifluoromethoxy)aniline · 5-Bromo-2-trifluoromethoxy-phenylamine · 2-Amino-4-bromo-trfluoromethoxybenzene · 3-Amino-4-(trifluoromethoxy)bromobenzene · Benzenamine, 5-bromo-2-(trifluoromethoxy)- · 3-Amino-4-(trifluoromethoxy)bromobenzene98%
https://huagongshe.com/de/chemical/2779367
Identifikatoren & physikalische Daten
| CAS No. | 886762-08-9 |
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| Summenformel | C7H5BrF3NO |
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| Durchschnittliche Molmasse | 256,02 g/mol |
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| Monoisotopische Masse | 254,95066054 g/mol |
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| SMILES | Nc1cc(Br)ccc1OC(F)(F)F |
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| InChIKey | FOJWHUFRHXEUBA-UHFFFAOYSA-N |
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| PubChem CID | 2779367 |
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| EC No. | 814-497-4 |
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| DTXSID | DTXSID90381416 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 35,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 176 |
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| Siedepunkt | 230.2±35.0 °C(Predicted) |
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| Dichte | 1.726±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | 1.38±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| Farbe | Pale yellow |
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| InChI | InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2 |
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| InChIKey | FOJWHUFRHXEUBA-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC(Br)=CC=C1OC(F)(F)F |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (90.3%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (90.3%) |
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| UN-Transportnummer | UN2811 |
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| Zollcode | 2922500090 |
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| Gefahrensymbole | Xi |
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Anwendungen & Verwendung
Verwenden
5-Bromo-2-(trifluoromethoxy)aniline (5-BTA) is a drug with inhibitory activity against cell proliferation and has been shown to be effective in inhibiting the growth of certain cancer cells, such as those expressing tyrosine kinase isoforms. 5-BTA is also capable of blocking cell proliferation through inhibition of other enzymes (e.g., protein kinases). The oral Bioavailability of 5-BTA has been demonstrated in rats and mice. A2780 cells are human lung cancer cells with mutations in the gene encoding tyrosine kinase. Selectivity for tyrosine kinase isoforms was observed in vitro and in vivo.