HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-1,3-thiazol-2-amine
4-broMothiazol-2-aMine · 4-BroMo-2-thiazolaMine · 4-broMo-1,3-thiazol-2-aMine · NSC 227856 · Amino-4-bromothiazole · 4-Bromo-2-aminothiazole · 2-Amino-4-bromothiazole · 2-ThiazolaMine, 4-broMo-
Identifikatoren & physikalische Daten
| CAS No. | 502145-18-8 |
|---|---|
| Summenformel | C3H3BrN2S |
| Durchschnittliche Molmasse | 179,04 g/mol |
| Monoisotopische Masse | 177,92003 g/mol |
| SMILES | Nc1nc(Br)cs1 |
| InChIKey | QJPQUNWGOHADOB-UHFFFAOYSA-N |
| PubChem CID | 428024 |
| EC No. | 815-169-3 |
| DTXSID | DTXSID40330232 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 70 |
| Siedepunkt | 287.6±13.0 °C(Predicted) |
| Dichte | 1.976±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pKa (Säurekonstante) | 2.17±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | Dark Brown |
| InChI | InChI=1S/C3H3BrN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6) |
| InChIKey | QJPQUNWGOHADOB-UHFFFAOYSA-N |
| SMILES | S1C=C(Br)N=C1N |
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, P317, 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 (100%) |
| Zollcode | 2934100090 |
Anwendungen & Verwendung
Verwenden
2-Amino-4-bromothiazole is used in the preparation of coumarin derivatives with antimicrobial properties.