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HCID 6905967Erstellt: 5. November 2026
5-(3-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
SALOR-INT L232165-1EA · 5-(3-METHOXYPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
https://huagongshe.com/de/chemical/6905967
Identifikatoren & physikalische Daten
| CAS No. | 478257-83-9 |
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| Summenformel | C20H16N4OS |
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| Durchschnittliche Molmasse | 360,4 g/mol |
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| Monoisotopische Masse | 360,10448232 g/mol |
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| SMILES | COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc3ccccc23)c1 |
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| InChIKey | WSBRESIYNWPVBX-FYJGNVAPSA-N |
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| PubChem CID | 6905967 |
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| EC No. | 646-778-0 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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| Polarare Oberfläche (TPSA) | 81,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 26 |
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| Formalladung | 0 |
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| Komplexität | 578 |
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| Siedepunkt | 531.002±52.00 °C(Press: 760.00 Torr)(predicted) |
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| Dichte | 1.289±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa (Säurekonstante) | 8.769±0.20(predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, 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. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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