HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitroveratrol
4-NITROVERATROLE · 1,2-DIMETHOXY-4-NITROBENZENE · 4-Nitroveratrole, 95% · NSC 93382 · NSC 27974 · NSC 10116 · 4-Nitrcveratrole · 4-Nitroveratrole, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 709-09-1 |
|---|---|
| Summenformel | C8H9NO4 |
| Durchschnittliche Molmasse | 183,16 g/mol |
| Monoisotopische Masse | 183,05315777 g/mol |
| SMILES | COc1ccc([N+](=O)[O-])cc1OC |
| InChIKey | YFWBUVZWCBFSQN-UHFFFAOYSA-N |
| PubChem CID | 69728 |
| EC No. | 211-906-2 |
| DTXSID | DTXSID9061043 |
| Lokaler Name | 4-Nitroveratrol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 179 |
| Stoffklassen | Nitrogen Compounds -> Nitros, Aromatic |
| Physical Description | Yellow crystalline solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 95-98 °C(lit.) |
| Siedepunkt | 230 °C17 mm Hg(lit.) |
| Dichte | 1.1888 |
| Brechungsindex | 1.5310 (estimate) |
| Flammpunkt | 221-223°C/10mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | Light yellow to Yellow to Orange |
| BRN | 1878614 |
| CAS Datenbank | 709-09-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2-dimethoxy-4-nitro-(709-09-1) |
| EPA chemische Informationen | 3,4-Dimethoxynitrobenzene (709-09-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,2-dimethoxy-4-nitro-Benzene, 1,2-dimethoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Gefahrenübersicht | An irritantToxic by ingestion[Alfa Aesar MSDS] See 1,3-Dimethoxybenzene. See Nitrobenzene. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36-26 |
Anwendungen & Verwendung
Verwenden
4-Nitro-veratrole (cas# 709-09-1) is a compound useful in organic synthesis.