HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3-Dimethyl-6-nitroaniline
TIMTEC-BB SBB006536 · 6-NITRO-2,3-XYLIDINE · 6-Nitro-2,3-xylidine>2,3-Dimethyl-6-nitroaniline · 2,3-Dimethyl-6-nitroaniline,97% · 2,3-DIMETHYL-6-NITROANILINE 98% · (2,3-Dimethyl-6-nitrophenyl)amine · Benzenamine, 2,3-dimethyl-6-nitro- · 2,3-Dimethyl-6-nitroaniline,6-Nitro-2,3-xylidine
Identifikatoren & physikalische Daten
| CAS No. | 59146-96-2 |
|---|---|
| Summenformel | C8H10N2O2 |
| Durchschnittliche Molmasse | 166,18 g/mol |
| Monoisotopische Masse | 166,07422756 g/mol |
| SMILES | Cc1ccc([N+](=O)[O-])c(N)c1C |
| InChIKey | YEFYPFWBLCARLC-UHFFFAOYSA-N |
| PubChem CID | 597166 |
| EC No. | 628-895-9 |
| DTXSID | DTXSID60344472 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 178 |
| Schmelzpunkt | 117-120 °C(lit.) |
| Siedepunkt | 314.38°C (rough estimate) |
| Dichte | 1.220±0.06 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | 1.6273 (estimate) |
| Lagerbedingungen | 2-8°C, protect from light |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | -0.16±0.25(Predicted) |
| Farbe | Dark yellow to orange-brown |
| CAS Datenbank | 59146-96-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, 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)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2,3-Dimethyl-6-nitroaniline is an aromatic compound used in the study of C-H pi interactions and pi-pi stacking.