HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Fluoranthranilsure
5-FLUOROANTHRANILIC ACID · 5-FAA · NSC 513308 · AURORA KA-5382 · BUTTPARK 19\04-54 · RARECHEM AL BO 2236 · 5-Fluoranthranilsure · 5-fluoroanthranilicaci
Identifikatoren & physikalische Daten
| CAS No. | 446-08-2 |
|---|---|
| Summenformel | C7H6FNO2 |
| Durchschnittliche Molmasse | 155,13 g/mol |
| Monoisotopische Masse | 155,0382566 g/mol |
| SMILES | Nc1ccc(F)cc1C(=O)O |
| InChIKey | FPQMGQZTBWIHDN-UHFFFAOYSA-N |
| PubChem CID | 101412 |
| ChEMBL | CHEMBL4585642 |
| ChEBI | CHEBI:78042 |
| EC No. | 207-159-7 |
| DTXSID | DTXSID60196231 |
| Lokaler Name | 5-Fluoranthranilsure |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 163 |
| Schmelzpunkt | 181-183 °C(lit.) |
| Siedepunkt | 223.67°C (rough estimate) |
| Dichte | 1.3021 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 1.86±0.10(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Light yellow to light brown |
| BRN | 2803664 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11) |
| InChIKey | FPQMGQZTBWIHDN-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=CC=C1N |
| CAS Datenbank | 446-08-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 29224999 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-5-fluorobenzoic acid is used for the counterselection of TRP1, a commonly used genetic marker in the yeast Saccharoyces Cerevisiae. An antimetabolite for the tryptophan pathway in yeast, and is toxic by virtue of its antimetabolite conversion to 5-Fluorotryptophan. It can be used for the selection of tryptophan auxotroophs.