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2,3,4-Trichloranisol
2,3,4-TRICHLOROANISOL · 2,3,4-Trichloroanisole · 1,2,3-Trichloro-4-methoxybenzene · C17713400 2,3,4-Trichloroanisole · 4-Methoxy-1,2,3-trichlorobenzene · 2,3,4-Trichloroanisole, Pestanal · 1,2,3-Trichloro-4-methoxy-benzene · 2,3,4-Trichlorobenzene methyl ether
Identifikatoren & physikalische Daten
| CAS No. | 54135-80-7 |
|---|---|
| Summenformel | C7H5Cl3O |
| Durchschnittliche Molmasse | 211,5 g/mol |
| Monoisotopische Masse | 209,94059782 g/mol |
| SMILES | COc1ccc(Cl)c(Cl)c1Cl |
| InChIKey | FRQUNVLMWIYOLV-UHFFFAOYSA-N |
| PubChem CID | 41017 |
| EC No. | 258-990-7 |
| DTXSID | DTXSID10202477 |
| Lokaler Name | 2,3,4-Trichloranisol |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 131 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 70°C |
| Siedepunkt | 303.65°C (rough estimate) |
| Dichte | 1.4907 (rough estimate) |
| Brechungsindex | 1.5510 (estimate) |
| Löslichkeit | 10.8mg/L(25 ºC) |
| BRN | 2364316 |
| Henry-Konstante | 1.3×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C7H5Cl3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3 |
| InChIKey | FRQUNVLMWIYOLV-UHFFFAOYSA-N |
| SMILES | COc1ccc(Cl)c(Cl)c1Cl |
| LogP (Verteilungskoeffizient) | 3.740 |
| CAS Datenbank | 54135-80-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 9.3% (4 of 43) of reports.H413 (90.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 4 (90.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39-24/25-22 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 4 |
Anwendungen & Verwendung
Verwenden
2,3,4-Trichloroanisole, is an intermediate for the synthesis of some methoxy-polychlorobiphenyl, and 2,3,4,7,8-Pentachlorodibenzofuran (P237975), used as standards for analytical, toxic, and biological studies.