Identifikatoren & physikalische Daten
| CAS No. | 1784874-39-0 |
|---|
| Summenformel | C8H6FN3O |
|---|
| Durchschnittliche Molmasse | 179,15 g/mol |
|---|
| Monoisotopische Masse | 179,04948999 g/mol |
|---|
| SMILES | Oc1ccc(F)cc1-n1cnnc1 |
|---|
| InChIKey | KZKHODYKDRUGJK-UHFFFAOYSA-N |
|---|
| PubChem CID | 84656751 |
|---|
| EC No. | 817-494-6 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|
| Polarare Oberfläche (TPSA) | 50,9 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 175 |
|---|
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
