HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Fluoronicotinic Acid
AURORA KA-3033 · 5-Fluoronicotonicac · 5-Fluoronicotinic ac · 5-Fluoronicotinicaci · 5-Fluoronicotonic acid · 5-FLUORONICOTINIC ACID · 5-FluoronicotinicAcid>5-Fluoronicotinic acid ,97% · 5-fluoro-3-pyridinecarboxylicaci
Identifikatoren & physikalische Daten
| CAS No. | 402-66-4 |
|---|---|
| Summenformel | C6H4FNO2 |
| Durchschnittliche Molmasse | 141,1 g/mol |
| Monoisotopische Masse | 141,02260659 g/mol |
| SMILES | O=C(O)c1cncc(F)c1 |
| InChIKey | BXZSBDDOYIWMGC-UHFFFAOYSA-N |
| PubChem CID | 120232 |
| ChEMBL | CHEMBL397783 |
| EC No. | 674-996-6 |
| DTXSID | DTXSID60193200 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 140 |
| SpringerMaterials Properties | 19F nuclear magnetic resonance spectrum |
| Schmelzpunkt | 193-198℃ |
| Siedepunkt | 272.2±20.0 °C(Predicted) |
| Dichte | 1.419±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| pKa (Säurekonstante) | 3.13±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Off-white |
| InChI | InChI=1S/C6H4FNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10) |
| InChIKey | BXZSBDDOYIWMGC-UHFFFAOYSA-N |
| SMILES | C1=NC=C(F)C=C1C(O)=O |
| CAS Datenbank | 402-66-4(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 71 reports by companies from 7 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 | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Fluoronicotinic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.