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2-Chlor-4-methylpyridin
2-CHLORO-4-METHYLPYRIDINE · 2-CHLOROPICOLINE · 2-CHLORO-4-PICOLINE · 2-Chloro-4-Pilcoline · 4-Picoline, 2-chloro- · 2-CHLORO-GAMMA-PICOLINE · 2-Chlor-4-methylpyridin · 2-Chloro-4-picoline,98%
Identifikatoren & physikalische Daten
| CAS No. | 3678-62-4 |
|---|---|
| Summenformel | C6H6ClN |
| Durchschnittliche Molmasse | 127,57 g/mol |
| Monoisotopische Masse | 127,01887687 g/mol |
| SMILES | Cc1ccnc(Cl)c1 |
| InChIKey | MZVSTDHRRYQFGI-UHFFFAOYSA-N |
| PubChem CID | 77248 |
| EC No. | 222-951-2 |
| DTXSID | DTXSID30190241 |
| Lokaler Name | 2-Chlor-4-methylpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Schmelzpunkt | 115°C |
| Siedepunkt | 194-195 °C (lit.) |
| Dichte | 1.142 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.529(lit.) |
| Flammpunkt | 193 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 0.94±0.10(Predicted) |
| Wichte | 1.14 |
| Farbe | Clear colorless to light yellow |
| InChI | InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3 |
| InChIKey | MZVSTDHRRYQFGI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC(C)=C1 |
| CAS Datenbank | 3678-62-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Cl-4-(CH3)-pyridine(3678-62-4) |
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 43 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 | 29349990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFULEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-methylpyridine is used as a reagent in the synthesis of the mGLUR5 modulators imidazolyl-ethynyl-pyridines as potential antipsychotics. It is also used in the preparation of trifluoromethyl(pyrimidinyl)azetidinecarboxamides as potent, orally bioavailable TGR5 agonists.