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2,6-Dinitroanilin
NCI-C60753 · 2.6-Dinitr · 6-Dinitroaniline · 2，6-Dinitroanilin · 2,6-DINITROANILINE · 202,6-DINITROANILINE · Lecithin Impurity 21 · Aniline, 2,6-dinitro-
Identifikatoren & physikalische Daten
| CAS No. | 606-22-4 |
|---|---|
| Summenformel | C6H5N3O4 |
| Durchschnittliche Molmasse | 183,12 g/mol |
| Monoisotopische Masse | 183,02800564 g/mol |
| SMILES | Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] |
| InChIKey | QFUSCYRJMXLNRB-UHFFFAOYSA-N |
| PubChem CID | 69070 |
| EC No. | 210-108-1 |
| DTXSID | DTXSID70209402 |
| Lokaler Name | 2,6-Dinitroanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 118 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 199 |
| LogP (Verteilungskoeffizient) | 1.79 |
| Schmelzpunkt | 134 °C (dec.) (lit.) |
| Siedepunkt | 316.77°C (rough estimate) |
| Dichte | 1.6188 (rough estimate) |
| Brechungsindex | 1.6910 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Crystalline Powder or Crystals |
| pKa (Säurekonstante) | pK1:-5.23(+1) (25°C) |
| Farbe | White to off-white |
| Löslichkeit | practically insoluble |
| Merck | 14,3271 |
| BRN | 2214886 |
| InChIKey | QFUSCYRJMXLNRB-UHFFFAOYSA-N |
| CAS Datenbank | 606-22-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2,6-dinitro-(606-22-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.6%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.6%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1596 6.1/PG 2 |
| Zollcode | 29214210 |
| RTECS-Nr. | BX9200000 |
| R-Sätze (R) | 23/24/25-33-44-26/27/28 |
| Gefahrensymbole | T,T+ |
| Sicherheitshinweise (S) | 28-37-45-36/37-28A |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
2,6-Dinitroaniline is used for organic synthesis intermediates, dyes intermediates, used in the preparation of 2,6-dinitroiodobenzene. It act as a precursor for various new 1,2,3-trisubstituted halobenzene derivatives.