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HCID 319954Erstellt: 26. Oktober 2026
2-Amino-6-fluorobenzothiazole
6-FLUOROBENZO[D]THIAZOL-2-AMINE · AKOS B034895 · AKOS BB-8275 · ASISCHEM Y86622 · TIMTEC-BB SBB000158 · OTAVA-BB BB7110950332 · 6-FLUORO-2-BENZOTHIAZOLAMINE · 2-BenzothiazolaMine, 6-floro
https://huagongshe.com/de/chemical/319954
Identifikatoren & physikalische Daten
| CAS No. | 348-40-3 |
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| Summenformel | C7H5FN2S |
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| Durchschnittliche Molmasse | 168,19 g/mol |
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| Monoisotopische Masse | 168,01574738 g/mol |
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| SMILES | Nc1nc2ccc(F)cc2s1 |
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| InChIKey | CJLUXPZQUXVJNF-UHFFFAOYSA-N |
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| PubChem CID | 319954 |
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| ChEMBL | CHEMBL98406 |
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| ChEBI | CHEBI:194809 |
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| EC No. | 609-034-6 |
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| DTXSID | DTXSID50313051 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 67,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 155 |
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| LogP (Verteilungskoeffizient) | 2.2 |
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| Schmelzpunkt | 183-185 °C (lit.) |
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| Siedepunkt | 312.0±34.0 °C(Predicted) |
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| Dichte | 1.3490 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| pKa (Säurekonstante) | 3.77±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Off-white to tan |
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| InChI | InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10) |
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| InChIKey | CJLUXPZQUXVJNF-UHFFFAOYSA-N |
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| SMILES | S1C2=CC(F)=CC=C2N=C1N |
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| CAS Datenbank | 348-40-3(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 | 29342000 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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