HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxyisoquinoline
Isoquinolin-3-ol · 3-ISOQUINOLINOL · Isoquinolin-3(2H)-one · 3(2H)-Isoquinolinone · 3-Hydorxyisoquinoline · 3-HYDROXYISOQUINOLINE · 3-Hydroxyisoquinoline>3-Hydroxyisoquinoline,99% · 2,3-dihydroisoquinolin-3-one
Identifikatoren & physikalische Daten
| CAS No. | 7651-81-2 |
|---|---|
| Summenformel | C9H7NO |
| Durchschnittliche Molmasse | 145,16 g/mol |
| Monoisotopische Masse | 145,05276385 g/mol |
| SMILES | O=c1cc2ccccc2c[nH]1 |
| InChIKey | GYPOFOQUZZUVQL-UHFFFAOYSA-N |
| PubChem CID | 2736554 |
| EC No. | 624-369-8 |
| DTXSID | DTXSID20997882 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 318 |
| Schmelzpunkt | 192-194 °C (lit.) |
| Siedepunkt | 551.9±23.0 °C(Predicted) |
| Dichte | 1.23±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 11.06±0.20(Predicted) |
| Farbe | Yellow |
| BRN | 113230 |
| InChI | 1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6H,(H,10,11) |
| InChIKey | GYPOFOQUZZUVQL-UHFFFAOYSA-N |
| SMILES | Oc1cc2ccccc2cn1 |
| CAS Datenbank | 7651-81-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (89.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29334900 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
3-Hydroxyisoquinoline is a compound used in a polymeric mixture of polyvinyl alcohol (PVA) along with Nile Red to produce white light through Forster resonance energy transfer.