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2,3-Dichloro-5-(trichloromethyl)pyridine
2,3-Dichloro-5-(trichloromethyl)pyridine · 2 3-DICHLORO-5-(TRICHLOROMETHYL)PYRIDIN& · Pyridine,2,3-dichloro-5-(trichloromethyl)- · 69045-83-6 2,3-Dichloro-5-(trichloromethyl)pyridine · 2,3-Dichloro-5-(trichloromethyl)pyridine ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 69045-83-6 |
|---|---|
| Summenformel | C6H2Cl5N |
| Durchschnittliche Molmasse | 265,3 g/mol |
| Monoisotopische Masse | 262,86298746 g/mol |
| SMILES | Clc1cc(C(Cl)(Cl)Cl)cnc1Cl |
| InChIKey | XVBWGQSXLITICX-UHFFFAOYSA-N |
| PubChem CID | 94647 |
| ChEMBL | CHEMBL3184088 |
| EC No. | 614-912-7 |
| DTXSID | DTXSID7029534 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 157 |
| Physical Description | Liquid |
| Siedepunkt | 278-279 °C(lit.) |
| Dichte | 1.636 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5900(lit.) |
| Flammpunkt | 150 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | -3.03±0.10(Predicted) |
| Henry-Konstante | 8.4×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C6H2Cl5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H |
| InChIKey | XVBWGQSXLITICX-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(C(Cl)(Cl)Cl)C=C1Cl |
| EPA chemische Informationen | 2,3-Dichloro-5-(trichloromethyl)pyridine (69045-83-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Pyridine, 2,3-dichloro-5-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,3-dichloro-5-(trichloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
2,3-dichloro-5-(trifluoromethyl)pyridine (DCTF) is an important organic intermediate for the agrochemical industry in particular for use in the synthesis of fluazinam and fluopicolide as well as other pesticidal active pyridine compounds.