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4-Methyl-3-nitroanisol
4-METHOXY-1-METHYL-2-NITRO-BENZENE · TIMTEC-BB SBB008488 · 4-Methyl-3-nitroanis · 3-nitro-4-methylanisole · 4-METHYL-3-NITROANISOLE · 2-Nitro-4-methoxytoluene · 4-METHOXY-2-NITROTOLUENE · Anisole, 4-methyl-3-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 17484-36-5 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | COc1ccc(C)c([N+](=O)[O-])c1 |
| InChIKey | JBORNNNGTJSTLC-UHFFFAOYSA-N |
| PubChem CID | 87137 |
| EC No. | 241-500-0 |
| DTXSID | DTXSID80169907 |
| Lokaler Name | 4-Methyl-3-nitroanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 166 |
| Schmelzpunkt | 17 °C (lit.) |
| Siedepunkt | 266-267 °C (lit.) |
| Dichte | 1.207 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.552(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroforminsoluble |
| Aggregatzustand | Light Yellow Liquid |
| BRN | 2047309 |
| InChI | 1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3 |
| InChIKey | JBORNNNGTJSTLC-UHFFFAOYSA-N |
| SMILES | COc1ccc(C)c(c1)[N+]([O-])=O |
| CAS Datenbank | 17484-36-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 4-methoxy-1-methyl-2-nitro-(17484-36-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29093090 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
4-Methyl-3-nitroanisole (cas# 17484-36-5) is a compound useful in organic synthesis.