HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 620683Erstellt: 27. Oktober 2026
4-(4-Bromophenyl)-1,3-thiazol-2-amine
AURORA 5312 · AKOS B000493 · AKOS BC-1559 · MFCD000511953 · BUTTPARK 41\03-36 · TIMTEC-BB SBB000941 · OTAVA-BB BB0125210401 · 4-(4-BROMOPHENYL)THIAZOL-2-AMINE
https://huagongshe.com/de/chemical/620683
Identifikatoren & physikalische Daten
| CAS No. | 2103-94-8 |
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| Summenformel | C9H7BrN2S |
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| Durchschnittliche Molmasse | 255,14 g/mol |
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| Monoisotopische Masse | 253,95133132 g/mol |
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| SMILES | Nc1nc(-c2ccc(Br)cc2)cs1 |
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| InChIKey | ZBRNKOLWXWMLTA-UHFFFAOYSA-N |
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| PubChem CID | 620683 |
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| ChEMBL | CHEMBL1622137 |
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| EC No. | 627-494-6 |
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| DTXSID | DTXSID90347370 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 67,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 171 |
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| Schmelzpunkt | 183-187 °C (lit.) |
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| Siedepunkt | 410.9±20.0 °C(Predicted) |
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| Dichte | 1.636±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| pKa (Säurekonstante) | 3.95±0.10(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Light orange |
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| Löslichkeit | Insoluble |
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| BRN | 153896 |
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| InChI | 1S/C9H7BrN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12) |
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| InChIKey | ZBRNKOLWXWMLTA-UHFFFAOYSA-N |
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| SMILES | Nc1nc(cs1)-c2ccc(Br)cc2 |
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| CAS Datenbank | 2103-94-8(CAS DataBase Reference) |
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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)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29341000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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