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1,2,4-Trimethoxybenzol
TMB 124 · 1,2,4-TriMetho · 4-Trimethoxybenzene · cerium(3+) phosphate · 1,2,4-Trimethoxybenz · 1,2,4-Trimethoxybenzol · 1,2,4-Trimthoxybenzene · 1,4,5-Trimethoxybenzene
Identifikatoren & physikalische Daten
| CAS No. | 135-77-3 |
|---|---|
| Summenformel | C9H12O3 |
| Durchschnittliche Molmasse | 168,19 g/mol |
| Monoisotopische Masse | 168,07864424 g/mol |
| SMILES | COc1ccc(OC)c(OC)c1 |
| InChIKey | AGIQIOSHSMJYJP-UHFFFAOYSA-N |
| PubChem CID | 67284 |
| ChEMBL | CHEMBL1668605 |
| ChEBI | CHEBI:167092 |
| EC No. | 205-219-7 |
| DTXSID | DTXSID5035163 |
| Lokaler Name | 1,2,4-Trimethoxybenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 127 |
| Siedepunkt | 247 °C(lit.) |
| Dichte | 1.126 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.533(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl AcetateNot miscible in water. |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Merck | 14,1073 |
| BRN | 2047579 |
| LogP (Verteilungskoeffizient) | 1.640 (est) |
| CAS Datenbank | 135-77-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2,4-Trimethoxybenzene(135-77-3) |
| EPA chemische Informationen | 1,2,4-Trimethoxybenzene (135-77-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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. |
|---|---|
| Regulatorische Informationen | Benzene, 1,2,4-trimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| RTECS-Nr. | DC2770000 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25 |
Anwendungen & Verwendung
Verwenden
1,2,4-Trimethoxybenzene is used as a reagent in the synthesis of barbigerone derivatives which can be used as antiproliferative and antiangiogenesis agents. Also used as a reagent in the synthesis of Malvone A (M161525) which is a phytoalexin found in Malva sylvestris.