HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 28482Erstellt: 4. November 2026
3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
3-Methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one · 4-Phenyl-3-methylisoxazolo[3,4-d]pyridazine-7(6H)-one · Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-methyl-4-phenyl- · 3-Methyl-4-phenyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one
https://huagongshe.com/de/chemical/28482
Identifikatoren & physikalische Daten
| CAS No. | 17334-68-8 |
|---|
| Summenformel | C12H9N3O2 |
|---|
| Durchschnittliche Molmasse | 227,22 g/mol |
|---|
| Monoisotopische Masse | 227,06947654 g/mol |
|---|
| SMILES | Cc1onc2c(=O)[nH]nc(-c3ccccc3)c12 |
|---|
| InChIKey | YUQZAUWIHXYWKC-UHFFFAOYSA-N |
|---|
| PubChem CID | 28482 |
|---|
| EC No. | 605-676-6 |
|---|
| DTXSID | DTXSID90169599 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|
| Polarare Oberfläche (TPSA) | 67,5 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 17 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 350 |
|---|
| Dichte | 1.44±0.1 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 10.46±0.40(Predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Alarmwort | Warnung |
|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
|---|
