HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Methyl-2-nitroanilin
NSC 86672 · Telmisartan Impurity V · 2-Nitro-N-methylaniline · 1-METHYL-2-NITROANILINE · n-methyl-o-nitro-anilin · N-METHYL-O-NITROANILINE · Telmisartan Impurity 14 · N-Methyl-2-nitroaniline
Identifikatoren & physikalische Daten
| CAS No. | 612-28-2 |
|---|---|
| Summenformel | C7H8N2O2 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,0585775 g/mol |
| SMILES | CNc1ccccc1[N+](=O)[O-] |
| InChIKey | KFBOUJZFFJDYTA-UHFFFAOYSA-N |
| PubChem CID | 69157 |
| EC No. | 210-303-1 |
| DTXSID | DTXSID4060608 |
| Lokaler Name | N-Methyl-2-nitroanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 144 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.18 |
| Schmelzpunkt | 35-38 °C (lit.) |
| Siedepunkt | 294.61°C (rough estimate) |
| Dichte | 1.2333 (estimate) |
| Brechungsindex | 1.6276 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Low-Melting Solid |
| pKa (Säurekonstante) | -0.49±0.25(Predicted) |
| Farbe | Orange to Red |
| InChI | 1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3 |
| InChIKey | KFBOUJZFFJDYTA-UHFFFAOYSA-N |
| SMILES | CNc1ccccc1[N+]([O-])=O |
| LogP (Verteilungskoeffizient) | 0.972 |
| CAS Datenbank | 612-28-2(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, N-methyl-2-nitro- (612-28-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30005 |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| RTECS-Nr. | BY5710000 |
| R-Sätze (R) | 23/24/25-33 |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 36/37-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
N-Methyl-2-nitroaniline was used in the determination of the polarities of ionic liquids using the Kamlet-Taft empirical polarity scales. It was also employed in characterization of the octadecyl-derivatized silica stationary phase and the corresponding mobile phases used in reversed-phase liquid chromatography.