HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 18844Erstellt: 27. Oktober 2026
3,6-Dichlorsalicylsure
AKOS BBS-00006746 · Dicamba metabolite · OTAVA-BB BB7020410042 · Dichlorosalicylicacid · 3,6-dichloro-salicylicaci · 3,6-DICHLOROSALICYLIC ACID · C12260300 Dicamba-desmethyl · 3,6-dichloro-2-hydroxybenzoicaci
https://huagongshe.com/de/chemical/18844
Identifikatoren & physikalische Daten
| CAS No. | 3401-80-7 |
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| Summenformel | C7H4Cl2O3 |
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| Durchschnittliche Molmasse | 207,01 g/mol |
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| Monoisotopische Masse | 205,95374935 g/mol |
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| SMILES | O=C(O)c1c(Cl)ccc(Cl)c1O |
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| InChIKey | FKIKPQHMWFZFEB-UHFFFAOYSA-N |
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| PubChem CID | 18844 |
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| ChEMBL | CHEMBL1233461 |
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| EC No. | 222-275-8 |
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| DTXSID | DTXSID9041657 |
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| Lokaler Name | 3,6-Dichlorsalicylsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 185 |
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| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
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| Schmelzpunkt | approximate 195℃ (dec.) |
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| Siedepunkt | 297.29°C (rough estimate) |
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| Dichte | 1.5281 (rough estimate) |
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| Brechungsindex | 1.4845 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | DMSO (Soluble), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 1.99±0.25(Predicted) |
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| Farbe | White to Off-White |
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| Henry-Konstante | 1.3×103 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
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| CAS Datenbank | 3401-80-7(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzoic acid, 3,6-dichloro-2-hydroxy- (3401-80-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | H412 (99.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 135 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Chronic 3 (99.3%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2918290000 |
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