HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-5-iodopyridine
oro-5-iodopyridine · 2-CHORO-5-IODOPYRIDINE · 5-BroMo-5-iodopyridine · 2-CHLORO-5-INDOPYRIDINE · 2-CHLORO-5-IODOPYRIDINE · Pyridine, 2-chloro-5-iodo- · 2-Chloro-5-Iodine Pyridine · 2-Chloro-5-iodiodipyridine
Identifikatoren & physikalische Daten
| CAS No. | 69045-79-0 |
|---|---|
| Summenformel | C5H3ClIN |
| Durchschnittliche Molmasse | 239,44 g/mol |
| Monoisotopische Masse | 238,89987478 g/mol |
| SMILES | Clc1ccc(I)cn1 |
| InChIKey | QWLGCWXSNYKKDO-UHFFFAOYSA-N |
| PubChem CID | 4397176 |
| EC No. | 627-359-1 |
| DTXSID | DTXSID90402837 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 78,8 |
| Schmelzpunkt | 95-98 °C (lit.) |
| Siedepunkt | 253.2±20.0 °C(Predicted) |
| Dichte | 2.052±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder or Flakes |
| pKa (Säurekonstante) | -2.00±0.10(Predicted) |
| Farbe | Off-white to yellow-beige |
| Löslichkeit | insoluble |
| BRN | 108889 |
| InChI | 1S/C5H3ClIN/c6-5-2-1-4(7)3-8-5/h1-3H |
| InChIKey | QWLGCWXSNYKKDO-UHFFFAOYSA-N |
| SMILES | Clc1ccc(I)cn1 |
| CAS Datenbank | 69045-79-0(CAS DataBase Reference) |
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-20/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant/Light Sensitive |
| Sicherheitshinweise (S) | 26-36-36/37/39-22 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-iodopyridine may be used as a reagent in the multi-step synthesis of (±)-epibatidine.It may be used in the synthesis of:2-Chloro-5-phenylpyridine via Suzuki coupling reaction with phenylboronic acid dimethyl ester.Exo-5- and exo-6- (6′-chloro-3′-pyridyl)-2-azabicyclo[2.2.1]heptanes via Heck coupling reaction with N-protected 2-azabicyclo[2.2.1]hept-5-enes.Substituted diaryliodonium salts.3-Exo-5′-(2′-Chloropyridinyl)-8-(ethoxycarbonyl)-8-azabicyclo[3.2.1]octane.