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p-(Chlormethyl)anisol
PMBCl · 4-METHOXYBENZYL CHLORIDE · P-METHOXYBENZYL CHLORIDE · PBMCl · 4-(Chloromethyl)-1-methoxybenzene · 4-Methoxybenzylchloride, stabilized, 98% 5GR · p-Anisyl chloride · p-(Chloromethyl)anisole
Identifikatoren & physikalische Daten
| CAS No. | 824-94-2 |
|---|---|
| Summenformel | C8H9ClO |
| Durchschnittliche Molmasse | 156,61 g/mol |
| Monoisotopische Masse | 156,0341926 g/mol |
| SMILES | COc1ccc(CCl)cc1 |
| InChIKey | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| PubChem CID | 69993 |
| EC No. | 212-540-6 |
| DTXSID | DTXSID20231718 |
| Lokaler Name | p-(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 | 87 |
| Schmelzpunkt | −1 °C(lit.) |
| Siedepunkt | 117-118 °C14 mm Hg(lit.) |
| Dichte | 1.155 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | 229 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)slowly decomposes |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to pale yellow |
| Stabilität | Moisture Sensitive |
| InChI | InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
| InChIKey | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC=C(OC)C=C1 |
| CAS Datenbank | 824-94-2(CAS DataBase Reference) |
| NIST chemische Informationen | «alpha»-Chloro-4-methoxytoluene(824-94-2) |
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 51 reports by companies from 7 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Benzene, 1-(chloromethyl)-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| CSL Reaction Information | CSL00029p-methoxybenzyl ChloridePMB Chloride ExplosionSelf-ReactiveBenzyl halideL (>100g) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 29093090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Selbstentzündungstemperatur | 109℃ |
Anwendungen & Verwendung
Verwenden
4-Methoxybenzylchloride is used in a synthesis of diarymethanes via Suzuki cross-coupling with postassium aryltrifluoroborates. It is also an O/N protecting group reagent which can be mildly oxidatively cleaved, e.g., with ceric ammonium nitrate.