HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4586830Erstellt: 1. November 2026
Methyl 4-(5-((2-(2-chloroanilino)-2-oxoethyl)sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-YL)benzoate
SALOR-INT L443131-1EA · METHYL 4-(5-([2-(2-CHLOROANILINO)-2-OXOETHYL]SULFANYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)BENZOATE · Benzoic acid, 4-[5-[[2-[(2-chlorophenyl)amino]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]-, methyl ester
https://huagongshe.com/de/chemical/4586830
Identifikatoren & physikalische Daten
| CAS No. | 618441-19-3 |
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| Summenformel | C24H19ClN4O3S |
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| Durchschnittliche Molmasse | 479 g/mol |
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| Monoisotopische Masse | 478,0866393 g/mol |
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| SMILES | COC(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2-c2ccccc2)cc1 |
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| InChIKey | FRHAZPDWJGECPH-UHFFFAOYSA-N |
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| PubChem CID | 4586830 |
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| EC No. | 644-801-9 |
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Chemische & physikalische Eigenschaften
| XLogP | 5 |
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| Polarare Oberfläche (TPSA) | 111 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 8 |
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| Schwere Atome | 33 |
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| Formalladung | 0 |
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| Komplexität | 658 |
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| Dichte | 1.35±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 11.96±0.70(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 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 | Skin Irrit. 2 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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