HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 265306Erstellt: 23. Oktober 2026
Isoquinoline-1-carbaldehyde
Isoquinaldaldehyde · 1-FORMYLISOQUINOLINE · 1-Isoquinolinecarbaldehyde · 1-isquinolinecarboxaldehyde · ISOQUINOLINE-1-CARBALDEHYDE · 1-Isoquinolinecarboxaldehyde · Isoquinoline-1-carboxaldehyde · Isoquinoline-1-carbaldehyde ,97%
https://huagongshe.com/de/chemical/265306
Identifikatoren & physikalische Daten
| CAS No. | 4494-18-2 |
|---|
| Summenformel | C10H7NO |
|---|
| Durchschnittliche Molmasse | 157,17 g/mol |
|---|
| Monoisotopische Masse | 157,05276384 g/mol |
|---|
| SMILES | O=Cc1nccc2ccccc12 |
|---|
| InChIKey | HORFVOWTVOJVAN-UHFFFAOYSA-N |
|---|
| PubChem CID | 265306 |
|---|
| ChEMBL | CHEMBL1720459 |
|---|
| EC No. | 868-291-4 |
|---|
| DTXSID | DTXSID70295325 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|
| Polarare Oberfläche (TPSA) | 30 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 169 |
|---|
| Schmelzpunkt | 55-55.5 °C |
|---|
| Siedepunkt | 308.6±15.0 °C(Predicted) |
|---|
| Dichte | 1.223±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
|---|
| pKa (Säurekonstante) | 2.06±0.30(Predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
|---|
| Zollcode | 29334900 |
|---|
| R-Sätze (R) | 22-36-20/21/22 |
|---|
| Gefahrensymbole | Xn |
|---|
| Sicherheitshinweise (S) | 26-36/37-24/25 |
|---|
