HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-4-nitrobenzolsulfonat
Methyl nosylate. · Methyl p-Nitrobenzenesulfonate · Methyl 4-nitrobenzenesulfonate · methyl 4-nitrobenzenesulphonate · 3,5-Dichloro-2,6-dinitroanisole · Methyl 4-nitrobenzenesulfonate 99% · METHYL 4-NITROBENZENESULFONATE, 99+% · 4-nitro-benzenesulfonicacimethylester
Identifikatoren & physikalische Daten
| CAS No. | 6214-20-6 |
|---|---|
| Summenformel | C7H7NO5S |
| Durchschnittliche Molmasse | 217,2 g/mol |
| Monoisotopische Masse | 217,00449332 g/mol |
| SMILES | COS(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
| InChIKey | RMNJNEUWTBBZPT-UHFFFAOYSA-N |
| PubChem CID | 22582 |
| EC No. | 228-282-2 |
| DTXSID | DTXSID9064138 |
| Lokaler Name | Methyl-4-nitrobenzolsulfonat |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 97,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 293 |
| Schmelzpunkt | 89-92 °C (lit.) |
| Siedepunkt | 500°C (rough estimate) |
| Dichte | 1.6040 (rough estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | acetone: 50 mg/mL, clear, slightly yellow |
| Aggregatzustand | solid |
| Merck | 13,6124 |
| BRN | 2277327 |
| InChI | InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey | RMNJNEUWTBBZPT-UHFFFAOYSA-N |
| SMILES | C1(S(OC)(=O)=O)=CC=C([N+]([O-])=O)C=C1 |
| EPA chemische Informationen | Benzenesulfonic acid, 4-nitro-, methyl ester (6214-20-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Methylating agent.