HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9690688Erstellt: 3. November 2026
4-((2-Chlorobenzylidene)amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SALOR-INT L417653-1EA · 4-((2-CHLOROBENZYLIDENE)AMINO)-5-(2-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
https://huagongshe.com/de/chemical/9690688
Identifikatoren & physikalische Daten
| CAS No. | 160284-98-0 |
|---|
| Summenformel | C15H10Cl2N4S |
|---|
| Durchschnittliche Molmasse | 349,2 g/mol |
|---|
| Monoisotopische Masse | 348,0003229 g/mol |
|---|
| SMILES | S=c1[nH]nc(-c2ccccc2Cl)n1/N=C/c1ccccc1Cl |
|---|
| InChIKey | OHQSFZHLLCFMMS-GIJQJNRQSA-N |
|---|
| PubChem CID | 9690688 |
|---|
| EC No. | 637-609-1 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|
| Polarare Oberfläche (TPSA) | 72,1 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 22 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 482 |
|---|
| Siedepunkt | 465.995±55.00 °C(Press: 760.00 Torr)(predicted) |
|---|
| Dichte | 1.450±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
|---|
| pKa (Säurekonstante) | 8.483±0.20(predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, 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. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Alarmwort | Warnung |
|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
|---|
