HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-4-fluoro-6-nitroaniline
SKL366 · 2-Bromo-4-fluoro-6-nitroaniline · 2-Bromo-4-fluoro-6-nitroaniline98% · 2-Bromo-4-fluoro-6-nitroaniline 98% · 2-bromo-4-fluoro-6-nitrobenzenamine · 2-Bromo-4-fluoro-6-nitroaniline, 97% · 2-Amino-3-bromo-5-fluoronitrobenzene · BenzenaMine, 2-broMo-4-fluoro-6-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 10472-88-5 |
|---|---|
| Summenformel | C6H4BrFN2O2 |
| Durchschnittliche Molmasse | 235,01 g/mol |
| Monoisotopische Masse | 233,94401769 g/mol |
| SMILES | Nc1c(Br)cc(F)cc1[N+](=O)[O-] |
| InChIKey | HCYDUPDSEDHSQB-UHFFFAOYSA-N |
| PubChem CID | 292004 |
| EC No. | 641-202-4 |
| DTXSID | DTXSID80303268 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 187 |
| Schmelzpunkt | 70-72°C |
| Siedepunkt | 313.9±37.0 °C(Predicted) |
| Dichte | 1.896±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | -2.32±0.25(Predicted) |
| Farbe | Orange |
| InChI | InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2 |
| InChIKey | HCYDUPDSEDHSQB-UHFFFAOYSA-N |
| SMILES | C1(N)=C([N+]([O-])=O)C=C(F)C=C1Br |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 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 (33.3%) |
| Zollcode | 2921420090 |
| Gefahrensymbole | T |
| Gefahrenklasse | 6.1 |
Anwendungen & Verwendung
Verwenden
2-Bromo-4-fluoro-6-nitroaniline is used as pharmaceutical intermediate.