HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Nitro-o-anisidine
2-METHOXY-6-NITROANILINE · 2-amino-3-nitroanisole · Einecs 240-617-4 · 6-nitro-o-anisidine · Methoxy-6-nitroaniline · 2-Nitro-6-(methoxy)aniline · 2-methoxy-6-nitrobenzenamine · 2-Methoxy-6-nitro-phenylamine
Identifikatoren & physikalische Daten
| CAS No. | 16554-45-3 |
|---|---|
| Summenformel | C7H8N2O3 |
| Durchschnittliche Molmasse | 168,15 g/mol |
| Monoisotopische Masse | 168,05349212 g/mol |
| SMILES | COc1cccc([N+](=O)[O-])c1N |
| InChIKey | NDKWDGCTUOOAPF-UHFFFAOYSA-N |
| PubChem CID | 85491 |
| EC No. | 240-617-4 |
| DTXSID | DTXSID20167962 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| Schmelzpunkt | 73-78℃ |
| Siedepunkt | 322.1±22.0 °C(Predicted) |
| Dichte | 1.318±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | -0.35±0.25(Predicted) |
| Farbe | Light yellow to brown |
| InChI | 1S/C7H8N2O3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,8H2,1H3 |
| InChIKey | NDKWDGCTUOOAPF-UHFFFAOYSA-N |
| SMILES | NC1=C([N+]([O-])=O)C=CC=C1OC |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (50%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 2921420090 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Methoxy-6-nitroaniline is useful for preparing pyrimidine derivatives as FGFR4 inhibitors.