HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-3-pyridinecarboxaldehyde
2-CHLORONICOTINALDEHYDE · 2-CHLORO-3-FORMYLPYRIDINE · SKL1445 · 2-Chloronicotinal · TIMTEC-BB SBB004156 · 2-Chloro-3-pyridinec · oro-3-pyridinecarboxaL · CHLORO-2-FORMYL-3-PYRIDINE
Identifikatoren & physikalische Daten
| CAS No. | 36404-88-3 |
|---|---|
| Summenformel | C6H4ClNO |
| Durchschnittliche Molmasse | 141,55 g/mol |
| Monoisotopische Masse | 140,99814143 g/mol |
| SMILES | O=Cc1cccnc1Cl |
| InChIKey | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
| PubChem CID | 737607 |
| ChEMBL | CHEMBL2228156 |
| EC No. | 629-217-4 |
| DTXSID | DTXSID40353269 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 30 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 107 |
| Schmelzpunkt | 50-54 °C (lit.) |
| Siedepunkt | 119 °C(Press: 30 Torr) |
| Dichte | 1.332±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, DMSO |
| Aggregatzustand | Powder or Low Melting Solid |
| pKa (Säurekonstante) | -1.36±0.10(Predicted) |
| Farbe | White to off-white |
| InChI | InChI=1S/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H |
| InChIKey | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC=C1C=O |
| CAS Datenbank | 36404-88-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 22-36-43 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Sens. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Starting material for the preparation of 5-azaindoles by the Hemetsberger-Knittel reaction involving the thermal decomposition of alkenyl azides.1