HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6878956Erstellt: 3. November 2026
5-(3-Chlorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
SALOR-INT L229946-1EA · 5-(3-CHLOROPHENYL)-4-((4-ISOPROPYLBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL · 3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-2,4-dihydro-4-[[[4-(1-methylethyl)phenyl]methylene]amino]-
https://huagongshe.com/de/chemical/6878956
Identifikatoren & physikalische Daten
| CAS No. | 478255-21-9 |
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| Summenformel | C18H17ClN4S |
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| Durchschnittliche Molmasse | 356,9 g/mol |
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| Monoisotopische Masse | 356,0862454 g/mol |
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| SMILES | CC(C)c1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1 |
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| InChIKey | KGAFMKOOYKXLGT-RGVLZGJSSA-N |
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| PubChem CID | 6878956 |
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| EC No. | 646-851-7 |
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Chemische & physikalische Eigenschaften
| XLogP | 5 |
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| Polarare Oberfläche (TPSA) | 72,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 511 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301 |
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