HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-2'-fluor-5-nitrobenzophenon
Naphthoic Acid Impurity 34 · 2-Amino-2'-fluoro-5-nitrobenzophenone · 2-Amino -5-Nitro-2'-Fluorobenzophenone · 2-[(2-fluorophenyl)carbonyl]-4-nitroaniline · 2-Amino-5-nitrophenyl(2-fluorophenyl) ketone · 2-Amino-2'-fluoro-5-Nitryl-diphenylmethanone · 2-Amino-5-Nitro-2'-Fluorobenzophenone (FNAB) · 2-Amino-2′-fluoro-5-nitrobenzophenone, CAS 344-80-9
Identifikatoren & physikalische Daten
| CAS No. | 344-80-9 |
|---|---|
| Summenformel | C13H9FN2O3 |
| Durchschnittliche Molmasse | 260,22 g/mol |
| Monoisotopische Masse | 260,05972032 g/mol |
| SMILES | Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F |
| InChIKey | ZTEHQPVGEHUXHI-UHFFFAOYSA-N |
| PubChem CID | 67657 |
| EC No. | 206-454-8 |
| DTXSID | DTXSID70187973 |
| Lokaler Name | 2-Amino-2'-fluor-5-nitrobenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 358 |
| Kovats Retention Index | 2401234423632335 |
| Schmelzpunkt | 158-160°C |
| Siedepunkt | 485.6±45.0 °C(Predicted) |
| Dichte | 1.399±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMF: 2 mg/mlDMSO: 1 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | -3.19±0.36(Predicted) |
| InChI | InChI=1S/C13H9FN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2 |
| InChIKey | ZTEHQPVGEHUXHI-UHFFFAOYSA-N |
| SMILES | C(C1=CC([N+]([O-])=O)=CC=C1N)(C1=CC=CC=C1F)=O |
| CAS Datenbank | 344-80-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, P391, 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%)Aquatic Chronic 2 (100%) |
| Zollcode | 29223990 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
Intermediate in the production of Flunitrazepam metabolites.