HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-5-fluoro-4-nitroaniline
2-Bromo-5-fluoro-4-nitro-phenylamine · 2-BroMo-5-fluoro-4-nitroaniline · 2-broMo-5-fluoro-4-nitrobenzenaMine · BenzenaMine, 2-broMo-5-fluoro-4-nitro- · BenzenaMine, 2-broMo-5-fluoro-4-nitro-2
Identifikatoren & physikalische Daten
| CAS No. | 952664-69-6 |
|---|---|
| Summenformel | C6H4BrFN2O2 |
| Durchschnittliche Molmasse | 235,01 g/mol |
| Monoisotopische Masse | 233,94401769 g/mol |
| SMILES | Nc1cc(F)c([N+](=O)[O-])cc1Br |
| InChIKey | PKDUOURYTVRBLI-UHFFFAOYSA-N |
| PubChem CID | 57488513 |
| EC No. | 963-732-8 |
| DTXSID | DTXSID60726890 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 187 |
| Siedepunkt | 364.5±37.0 °C(Predicted) |
| Dichte | 1.896±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | -2.19±0.14(Predicted) |
| InChI | InChI=1S/C6H4BrFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2 |
| InChIKey | PKDUOURYTVRBLI-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(F)=C([N+]([O-])=O)C=C1Br |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2921410090 |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-fluoro-4-nitroaniline is a polysubstituted aniline compound containing substituents such as bromine, nitro and fluorine atoms in the 2, 4 and 5 positions of the benzene ring, respectively. This product can be used as an intermediate for Tezacaftor, a cystic fibrosis (CF) combination used to treat patients 6 years of age and older.