HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Hydroxyisochinolin
ISOQUINOLIN-1(2H)-ONE · ISOQUINOLIN-1-OL · 1(2H)-ISOQUINOLINONE · 1-ISOQUINOLINOL · 1-HYDROXYISOQUINOLINE · 1-HIQ · NSC 27273 · ISOCARBOSTYRIL
Identifikatoren & physikalische Daten
| CAS No. | 491-30-5 |
|---|---|
| Summenformel | C9H7NO |
| Durchschnittliche Molmasse | 145,16 g/mol |
| Monoisotopische Masse | 145,05276384 g/mol |
| SMILES | O=c1[nH]ccc2ccccc12 |
| InChIKey | VDBNYAPERZTOOF-UHFFFAOYSA-N |
| PubChem CID | 10284 |
| ChEMBL | CHEMBL339695 |
| ChEBI | CHEBI:18350 |
| EC No. | 207-732-1 |
| DTXSID | DTXSID10197677 |
| Lokaler Name | 1-Hydroxyisochinolin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 198 |
| Schmelzpunkt | 212-216 °C |
| Siedepunkt | 376.3±35.0 °C(Predicted) |
| Dichte | 1.188±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly) |
| pKa (Säurekonstante) | 13.62±0.20(Predicted) |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to pale brown |
| BRN | 2954 |
| InChI | InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11) |
| InChIKey | VDBNYAPERZTOOF-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C=CN1 |
| CAS Datenbank | 491-30-5(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 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Isocarbostyril: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | N |
| Zollcode | 29334900 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 22-24/25-37-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Hydroxyisoquinoline (cas# 491-30-5) is a compound useful in organic synthesis.