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2,5-Dichlorpyridin
Dichloropyridine · 4-Aminophenylacetamide · 2,5- twochlorine pyridine · 5-Dichloropyridine · 2,5-Chloro pyridine · 2,5-DICHLORPYRIDINE · 2,5-dichloro-pyridin · 2,5-DICHLOROPYRIDINE
Identifikatoren & physikalische Daten
| CAS No. | 16110-09-1 |
|---|---|
| Summenformel | C5H3Cl2N |
| Durchschnittliche Molmasse | 147,99 g/mol |
| Monoisotopische Masse | 146,96425446 g/mol |
| SMILES | Clc1ccc(Cl)nc1 |
| InChIKey | GCTFDMFLLBCLPF-UHFFFAOYSA-N |
| PubChem CID | 27685 |
| EC No. | 240-278-2 |
| DTXSID | DTXSID7051765 |
| Lokaler Name | 2,5-Dichlorpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 76,8 |
| Schmelzpunkt | 59-62 °C (lit.) |
| Siedepunkt | 190-191 °C |
| Dichte | 1.5159 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Flammpunkt | 112 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | -2.25±0.10(Predicted) |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to slightly yellow |
| Löslichkeit | insoluble |
| BRN | 108886 |
| InChI | InChI=1S/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/h1-3H |
| InChIKey | GCTFDMFLLBCLPF-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(Cl)C=C1 |
| CAS Datenbank | 16110-09-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (34.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (34.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29333990 |
| RTECS-Nr. | US8225000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,5-Dichloropyridine was used in the synthesis of 6-halo-pyridin-3-yl boronic acids and esters. It undergoes cross-coupling reaction with arylboronic acids in the presence of [1,4-bis-(diphenylphosphine)butane]palladium (II) dichloride as catalyst.