HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2,3-Trifluor-4-nitrobenzol
2,3,4-TRIFLUORONITROBENZENE · 1,2,3-Trifluoro-4-ni · 4-chloro-2-fluroaniline · 4-Trifluoronitrobenzene · 2,3,4-Trifluornitrobenzene · 3,4,5 TRIFLUORONITROBENZEN · 2,3,4-TRIFLUORONITROBRNZENE · 1,2,3-Trifluor-4-nitrobenzol
Identifikatoren & physikalische Daten
| CAS No. | 771-69-7 |
|---|---|
| Summenformel | C6H2F3NO2 |
| Durchschnittliche Molmasse | 177,08 g/mol |
| Monoisotopische Masse | 177,00376296 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)c(F)c1F |
| InChIKey | ARCACZWMYGILNI-UHFFFAOYSA-N |
| PubChem CID | 69871 |
| EC No. | 212-238-4 |
| DTXSID | DTXSID30227889 |
| Lokaler Name | 1,2,3-Trifluor-4-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 184 |
| Siedepunkt | 92 °C/20 mmHg (lit.) |
| Dichte | 1.541 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.492(lit.) |
| Flammpunkt | 200 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Yellow to Orange |
| Wichte | 1.541 |
| BRN | 2449746 |
| InChI | InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H |
| InChIKey | ARCACZWMYGILNI-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C([N+]([O-])=O)C(F)=C1F |
| CAS Datenbank | 771-69-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+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 83 reports by companies from 7 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 | UN2810 |
| Zollcode | 29042090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,3,4-Trifluoronitrobenzene was employed as starting reagent in the synthesis of ofloxacin. It was also used in the synthesis of the third generation quinolones antibacterial drugs.