HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluornicotinsure
RARECHEM AL BO 2399 · TIMTEC-BB SBB004159 · 2-Fluoropyridine-3-c · 2-FLUORONICOTINIC ACID · 2-Fluoro-3-NicotinicAcid · 2-Fluoronicotinicacid97% · 2-FluoronicotinicAcid>2- fluorinenicotinic acid · 2-Fluoronicotinic acid 97%
Identifikatoren & physikalische Daten
| CAS No. | 393-55-5 |
|---|---|
| Summenformel | C6H4FNO2 |
| Durchschnittliche Molmasse | 141,1 g/mol |
| Monoisotopische Masse | 141,02260659 g/mol |
| SMILES | O=C(O)c1cccnc1F |
| InChIKey | LLLVHTWJGWNRBD-UHFFFAOYSA-N |
| PubChem CID | 96089 |
| ChEMBL | CHEMBL394308 |
| EC No. | 206-888-8 |
| DTXSID | DTXSID10192541 |
| Lokaler Name | 2-Fluornicotinsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 140 |
| Schmelzpunkt | 161-165 °C(lit.) |
| Siedepunkt | 298.7±20.0 °C(Predicted) |
| Dichte | 1.419±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.54±0.10(Predicted) |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to yellow |
| BRN | 3612 |
| InChI | 1S/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10) |
| InChIKey | LLLVHTWJGWNRBD-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccnc1F |
| CAS Datenbank | 393-55-5(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 48 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 | 29333990 |
| R-Sätze (R) | 36/37/38-10 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 26-36-16 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Fluoronicotinic Acid is an intermediate used to prepare oxadiazole derivatives to inhibit tubulin polymerization and to cause mitotic arrest in tumor cells. It is also used to synthesize potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.