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Chlorthal-monomethyl
MONOMETHY · dacthalmonoacid · Dacthal monoacid · Dacthal Impurity 3 · chlorthal-monomethyl · CHLORTHAL MONOMETHYL ESTER · Methyl tetrachlorophthalate · MONOMETHYL TETRACHLOROTERE PHTHALATE
Identifikatoren & physikalische Daten
| CAS No. | 887-54-7 |
|---|---|
| Summenformel | C9H4Cl4O4 |
| Durchschnittliche Molmasse | 317,9 g/mol |
| Monoisotopische Masse | 315,886369 g/mol |
| SMILES | COC(=O)c1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl |
| InChIKey | SXINVWXSZUQKSW-UHFFFAOYSA-N |
| PubChem CID | 13455 |
| EC No. | 690-103-2 |
| DTXSID | DTXSID9041782 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 308 |
| Pestizide | Pesticide degradation product |
| Schmelzpunkt | 174-177°C |
| Siedepunkt | 429.1±45.0 °C(Predicted) |
| Dichte | 1.694±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO, Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.27±0.32(Predicted) |
| Farbe | White to Pale Beige |
| EPA chemische Informationen | Chlorthal-monomethyl (887-54-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Dacthal monoacidPesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
Anwendungen & Verwendung
Verwenden
The monoacidic metabolite of Dacthal, a pre-emergent herbicide.