HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Difluoro-2-nitroaniline
3,4-DIFLUORO-2-NITROANILINE · 4,5-DifL · 2-Amino-4,5-diflu · BUTTPARK 19\04-57 · 4,5-DIFLUORO-2-NITRO · 4,5-DIFLUORO-2-NITROANILINE · 3,4-DIFLUORO-6-NITRO ANILINE · 4,5-Difluoro-2-nitroaniline>4,5-DIFLUORO-2-NITROANILINE 99%
Identifikatoren & physikalische Daten
| CAS No. | 78056-39-0 |
|---|---|
| Summenformel | C6H4F2N2O2 |
| Durchschnittliche Molmasse | 174,1 g/mol |
| Monoisotopische Masse | 174,02408381 g/mol |
| SMILES | Nc1cc(F)c(F)cc1[N+](=O)[O-] |
| InChIKey | WDMCABATCGQAKK-UHFFFAOYSA-N |
| PubChem CID | 157151 |
| ChEMBL | CHEMBL4459918 |
| EC No. | 616-585-6 |
| DTXSID | DTXSID00228702 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 185 |
| Schmelzpunkt | 107-108 °C (lit.) |
| Siedepunkt | 308.1±37.0 °C(Predicted) |
| Dichte | 1.554±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | -1.25±0.25(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Golden to orange |
| BRN | 2723242 |
| InChI | InChI=1S/C6H4F2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2 |
| InChIKey | WDMCABATCGQAKK-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(F)=C(F)C=C1[N+]([O-])=O |
| CAS Datenbank | 78056-39-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29214200 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,5-Difluoro-2-nitroaniline has been used in the preparation of:2-chloro-5,6-difluorobenzimidazole1-(4,5-difluoro-2-nitrophenyl)pyrene via diazotization reaction with isoamyl nitrite in the presence of pyrene5-ethoxy-6-fluorobenzofuroxan