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1-Chlor-2,5-dimethoxybenzol
2,5-DIMETHOXYCHLOROBENZENE · CHLORO-2,5-DIMETHOXYBENZENE · O-CHLORO-P-DIMETHOXYBENZENE · 1-Chlor-2,5-dimethoxybenzol · Chloro-1,4-dimethoxybenzene · 1,4-Dimethoxy-2-chlorophenol · 1-CHLORO-2,5-DIMETHOXYBENZENE · 2-CHLORO-1,4-DIMETHOXYBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 2100-42-7 |
|---|---|
| Summenformel | C8H9ClO2 |
| Durchschnittliche Molmasse | 172,61 g/mol |
| Monoisotopische Masse | 172,0291072 g/mol |
| SMILES | COc1ccc(OC)c(Cl)c1 |
| InChIKey | QMXZSRVFIWACJH-UHFFFAOYSA-N |
| PubChem CID | 246724 |
| ChEMBL | CHEMBL4561202 |
| ChEBI | CHEBI:194668 |
| EC No. | 218-267-9 |
| DTXSID | DTXSID3041403 |
| Lokaler Name | 1-Chlor-2,5-dimethoxybenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 119 |
| Kovats Retention Index | 1312.913651356.2 |
| Schmelzpunkt | 8.1 °C |
| Siedepunkt | 247 °C (759.8513 mmHg) |
| Dichte | 1.21 |
| Dampfdruck | 0.02-2.4Pa at 20-50℃ |
| Brechungsindex | 1.5452-1.5472 |
| Flammpunkt | 117 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.23 |
| Löslichkeit | practically insoluble |
| LogP (Verteilungskoeffizient) | 2.7 at 23℃ and pH6-8 |
| CAS Datenbank | 2100-42-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 2-chloro-1,4-dimethoxy-(2100-42-7) |
| EPA chemische Informationen | 2-Chloro-1,4-dimethoxybenzene (2100-42-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (62.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Status: Active Update: 21-04-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1900 |
| Hazard Classes and Categories | Acute Tox. 4 (37.5%)Skin Irrit. 2 (87.5%)Eye Irrit. 2 (62.5%)STOT SE 3 (62.5%)Aquatic Chronic 3 (12.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2909309090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 37/39-26 |
Anwendungen & Verwendung
Verwenden
2-chloro-1,4-dimethoxy-Benzene is a useful reactant which has been used in Suzuki cross-coupling reactions of aryl chlorides with arylboronic acids.