HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 613504Erstellt: 25. Oktober 2026
2-Amino-4-(3-nitrophenyl)thiazole
AURORA 12552 · AKOS BC-0568 · TOSLAB 566071 · AKOS BBS-00004741 · IFLAB-BB F1912-0042 · OTAVA-BB BB0108540042 · 4-(3-nitrophenyl)thiazol-2-amine · 2-AMino-4-(3-nitrophenyl)thiazole
https://huagongshe.com/de/chemical/613504
Identifikatoren & physikalische Daten
| CAS No. | 57493-24-0 |
|---|
| Summenformel | C9H7N3O2S |
|---|
| Durchschnittliche Molmasse | 221,24 g/mol |
|---|
| Monoisotopische Masse | 221,02589746 g/mol |
|---|
| SMILES | Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 |
|---|
| InChIKey | CHBDOPARQRNCDM-UHFFFAOYSA-N |
|---|
| PubChem CID | 613504 |
|---|
| EC No. | 637-352-5 |
|---|
| DTXSID | DTXSID60346597 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|
| Polarare Oberfläche (TPSA) | 113 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 5 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 15 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 246 |
|---|
| Schmelzpunkt | 189-191 °C |
|---|
| Siedepunkt | 447.2±28.0 °C(Predicted) |
|---|
| Dichte | 1.459±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 3.54±0.10(Predicted) |
|---|
| Farbe | Light orange to Yellow to Green |
|---|
| CAS Datenbank | 57493-24-0(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 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 (97.6%) |
|---|
| Zollcode | 2934100090 |
|---|
| Gefahrensymbole | Xi |
|---|
| Gefahrenklasse | IRRITANT |
|---|
