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m-Anisoylchlorid
M-ANISOYL CHLORIDE · 3-MethoxybenzoyL · AKOS BBS-00003914 · 3-ANISOYL CHLORIDE · 3-METHOXYBENZOYL CHL · m-Anisoyl chloride,99% · M-ANISIC ACID CHLORIDE · 3-Methoxybenzyl Chlorid
Identifikatoren & physikalische Daten
| CAS No. | 1711-05-3 |
|---|---|
| Summenformel | C8H7ClO2 |
| Durchschnittliche Molmasse | 170,59 g/mol |
| Monoisotopische Masse | 170,01345714 g/mol |
| SMILES | COc1cccc(C(=O)Cl)c1 |
| InChIKey | RUQIUASLAXJZIE-UHFFFAOYSA-N |
| PubChem CID | 74374 |
| EC No. | 216-975-2 |
| DTXSID | DTXSID10169011 |
| Lokaler Name | m-Anisoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 147 |
| Siedepunkt | 123-125 °C15 mm Hg(lit.) |
| Dichte | 1.214 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.558(lit.) |
| Flammpunkt | 198 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Soluble in chloroform. Reacts with water. |
| Aggregatzustand | Liquid |
| Wichte | 1.214 |
| Farbe | Clear colorless to light yellow |
| BRN | 386659 |
| InChI | 1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3 |
| InChIKey | RUQIUASLAXJZIE-UHFFFAOYSA-N |
| SMILES | COc1cccc(c1)C(Cl)=O |
| CAS Datenbank | 1711-05-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1729 8/PG 2 |
| Zollcode | 29147000 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Methoxybenzoyl chloride is used in the synthesis of 2-arylbenzofuran-based molecules that act against Alzheimers disease, combatting symptoms. In addition, it aids in the optimization of dihydropyrrolopyrimidine inhibitors against PI3K (phosphoinositide 3-kinase) resulting in tumor growth inhibition.