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Pyridine, 2,3,5-trichloro-
Dichlorostannane · 2,3,5-TrichL · 5-Trichloropyridine · Trichloropyridine,98% · 2,3,5-trichloro-pyridin · 3,5,6-Trichloropyridine · 2,3,5-TRICHLOROPYRIDINE · Pyridine, 2,3,5-trichloro-
Identifikatoren & physikalische Daten
| CAS No. | 16063-70-0 |
|---|---|
| Summenformel | C5H2Cl3N |
| Durchschnittliche Molmasse | 182,43 g/mol |
| Monoisotopische Masse | 180,9252821 g/mol |
| SMILES | Clc1cnc(Cl)c(Cl)c1 |
| InChIKey | CNLIIAKAAMFCJG-UHFFFAOYSA-N |
| PubChem CID | 27666 |
| EC No. | 407-270-2 |
| DTXSID | DTXSID40166952 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 98,2 |
| Schmelzpunkt | 46-50 °C (lit.) |
| Siedepunkt | 219 °C (lit.) |
| Dichte | 1.539±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | -2.92±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white to pale yellow |
| Löslichkeit | Slightly soluble in water. |
| BRN | 119384 |
| InChI | InChI=1S/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2H |
| InChIKey | CNLIIAKAAMFCJG-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(Cl)C=C1Cl |
| CAS Datenbank | 16063-70-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | H412: 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)H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]Aggregated GHS information provided per 77 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14071 |
| Hazard Classes and Categories | Aquatic Chronic 3 (100%)Hazardous to the aquatic environment (chronic) - category 3Aquatic Chronic 3 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29333990 |
| RTECS-Nr. | UU0525000 |
| R-Sätze (R) | 52/53-36/37/38 |
| Toxizität | mouse,LD50,intraperitoneal,430mg/kg (430mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: FATTY LIVER DEGERATIONBEHAVIORAL: ANTIPSYCHOTIC,Toxicology and Applied Pharmacology. Vol. 11, Pg. 361, 1967. |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 61-37/39-26 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Sens. 1 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2,3,5-Trichloropyridine may be used in the synthesis of 3,5-dichloro-2-arylpyridines via palladium acetate-catalyzed ligand-free Suzuki reaction with arylboronic acids.