HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chinolin-3-carbonsure
QUINOLINE-3-CARBOXYLIC ACID · AKOS BBS-00005333 · 3-Carboxyquinoline. · RARECHEM AL BO 1256 · 3-QUINOLINECARBOXYLIC ACID · 3-Quinolinecarboxylic acid 98% · 3-Quinolinecarboxylic acid,98% · 3-Quinolinecarboxylic Acid >Quinoline-3-carboxylic acid 97%
Identifikatoren & physikalische Daten
| CAS No. | 6480-68-8 |
|---|---|
| Summenformel | C10H7NO2 |
| Durchschnittliche Molmasse | 173,17 g/mol |
| Monoisotopische Masse | 173,04767846 g/mol |
| SMILES | O=C(O)c1cnc2ccccc2c1 |
| InChIKey | DJXNJVFEFSWHLY-UHFFFAOYSA-N |
| PubChem CID | 80971 |
| ChEMBL | CHEMBL275098 |
| EC No. | 229-337-3 |
| DTXSID | DTXSID90215101 |
| Lokaler Name | Chinolin-3-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| Schmelzpunkt | 277-280 °C (lit.) |
| Siedepunkt | 303.81°C (rough estimate) |
| Dichte | 1.2427 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 2.20±0.30(Predicted) |
| Farbe | White to slightly beige |
| BRN | 126542 |
| InChI | InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13) |
| InChIKey | DJXNJVFEFSWHLY-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C=C(C(O)=O)C=1 |
| CAS Datenbank | 6480-68-8(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 9 reports by companies from 5 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 | 29334900 |
| R-Sätze (R) | 36/37/38-36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26-37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
A quinoline derivative with antimicrobial activity.