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m-(Chlormethyl)anisol
AKOS BBS-00003862 · 3-Methoxybenzyl chlo · 3-CHLOROMETHYLANISOLE · 3-methoxychlorobenzyl · m-(Chloromethyl)anisole · 3-Methoxybenzalchloride · 3-METHOXYBENZYL CHLORIDE · M-METHOXYBENZYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 824-98-6 |
|---|---|
| Summenformel | C8H9ClO |
| Durchschnittliche Molmasse | 156,61 g/mol |
| Monoisotopische Masse | 156,03419259 g/mol |
| SMILES | COc1cccc(CCl)c1 |
| InChIKey | VGISFWWEOGVMED-UHFFFAOYSA-N |
| PubChem CID | 69994 |
| EC No. | 212-541-1 |
| DTXSID | DTXSID80231719 |
| Lokaler Name | m-(Chlormethyl)anisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 95,3 |
| Schmelzpunkt | 101.67°C |
| Siedepunkt | 124 °C13 mm Hg(lit.) |
| Dichte | 1.078 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.544(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Wichte | 1.157 (20/4℃) |
| BRN | 636684 |
| InChI | 1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3 |
| InChIKey | VGISFWWEOGVMED-UHFFFAOYSA-N |
| SMILES | COc1cccc(CCl)c1 |
| CAS Datenbank | 824-98-6(CAS DataBase Reference) |
| NIST chemische Informationen | «alpha»-Chloro-3-methoxytoluene(824-98-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 3-Methoxybenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 19-21 |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29093090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Methoxybenzyl chloride was used to alkylate 8-benzyloxy-2(1H)-quinolinone in the presence of DMF and NaH. It was also used in the synthesis of diarylmethanes via in situ organozinc-mediated, palladium-catalyzed cross-coupling between benzyl and aryl halide.