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3,5-Dimethoxybenzyl chloride
1-(CHLOROMETHYL)-3,5-DIMETHOXYBENZENE · Glumetinib Impurity 10 · Resorcinol Impurity 46 · 3,5-dimethoxybenzyl chlorid · 3,5-DIMETHOXYBENZYL CHLORIDE · 3,5-Dimethyloxybenzylchloride · 3,5-DiMethyoxy benzyl chloride · Benzene,1-(chloromethyl)-3,5-dimethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 6652-32-0 |
|---|---|
| Summenformel | C9H11ClO2 |
| Durchschnittliche Molmasse | 186,63 g/mol |
| Monoisotopische Masse | 186,04475727 g/mol |
| SMILES | COc1cc(CCl)cc(OC)c1 |
| InChIKey | CCAWDIFJOBKBSE-UHFFFAOYSA-N |
| PubChem CID | 2758395 |
| EC No. | 624-645-8 |
| DTXSID | DTXSID50374304 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 118 |
| Schmelzpunkt | 46-48 °C(lit.) |
| Siedepunkt | 115-118 °C0.4 mm Hg(lit.) |
| Dichte | 1.1631 (rough estimate) |
| Brechungsindex | 1.5230 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| InChI | 1S/C9H11ClO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3 |
| InChIKey | CCAWDIFJOBKBSE-UHFFFAOYSA-N |
| SMILES | COc1cc(CCl)cc(OC)c1 |
| CAS Datenbank | 6652-32-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 2909309090 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,5-Dimethoxybenzyl chloride was used in preparation of benzyl 7-(3,5-dimethoxyphenylacetoxy)octanoate, a precursor of curvularin. It was also used in the preparation of diethyl (3,5-dimethoxybenzyl) phosphonate via Wittig-Horner reaction.