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3,4-Dimethylanisol
4-METHOXY-O-XYLENE · 3,4-DIMETHYLANISOLE · 3,4-Dimethylanisole,99% · 3,4-DiMethylanisole 99% · 4-Methoxy-1,2-dimethylbenzene · 3,4-DiMethylanisole, 99% 50GR · 1,2-DIMETHYL-4-METHOXYBENZENE · 3,4-dimethylbenzenemethylether
Identifikatoren & physikalische Daten
| CAS No. | 4685-47-6 |
|---|---|
| Summenformel | C9H12O |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,088815 g/mol |
| SMILES | COc1ccc(C)c(C)c1 |
| InChIKey | LVUBSVWMOWKPDJ-UHFFFAOYSA-N |
| PubChem CID | 78411 |
| EC No. | 225-142-2 |
| DTXSID | DTXSID70196964 |
| Lokaler Name | 3,4-Dimethylanisol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 101 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Siedepunkt | 200-201 °C(lit.) |
| Dichte | 0.974 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.517(lit.) |
| Flammpunkt | 168 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| BRN | 2040907 |
| InChI | 1S/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3 |
| InChIKey | LVUBSVWMOWKPDJ-UHFFFAOYSA-N |
| SMILES | COc1ccc(C)c(C)c1 |
| CAS Datenbank | 4685-47-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 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 |
| UN-Transportnummer | 1993 |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38-41-37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 24/25-39-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3,4-Dimethylanisole was used as starting reagent in the synthesis of 3- and 4-methoxy-N-hydroxyphthalimide.