HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chloronicotinic acid
AKOS BBS-00001378 · IFLAB-BB F1957-0008 · 5-Chloronicotinic ac · 5-CHLORONICOTINIC ACID · 5-chlorine nicotinic acid · 5-Chloronicotinic Acid >5-chloropyridine-3-carboxylicaci · 5-CHLOROPYRIDINE-3-CARBOXYLIC ACID · 4-chloropyridine-4-carboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 22620-27-5 |
|---|---|
| Summenformel | C6H4ClNO2 |
| Durchschnittliche Molmasse | 157,55 g/mol |
| Monoisotopische Masse | 156,99305605 g/mol |
| SMILES | O=C(O)c1cncc(Cl)c1 |
| InChIKey | XYLPLVUYPAPCML-UHFFFAOYSA-N |
| PubChem CID | 247986 |
| ChEMBL | CHEMBL395178 |
| EC No. | 678-376-6 |
| DTXSID | DTXSID60289778 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 140 |
| Schmelzpunkt | 169-171°C |
| Siedepunkt | 303.7±22.0 °C(Predicted) |
| Dichte | 1.470±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.10±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C6H4ClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10) |
| InChIKey | XYLPLVUYPAPCML-UHFFFAOYSA-N |
| SMILES | C1=NC=C(Cl)C=C1C(O)=O |
| CAS Datenbank | 22620-27-5(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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29333990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xi,Xn |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
5-Chloronicotinic Acid is used as reagent/reactant luminescence and hydrothermal preparation of cobalt/cadmium/lead chloronicotinate phenanthroline MOF.