HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 853751Erstellt: 4. November 2026
1-((Phenylthio)methyl)-1H-benzotriazole
1-(phenylsulfanylmethyl)benzotriazole · 1-[(PHENYLTHIO)METHYL]-1H-BENZOTRIAZOLE · 1H-Benzotriazole, 1-[(phenylthio)methyl]- · 1-[(Phenylthio)methyl]-1H-benzotriazole 97% · 1-((Phenylthio)methyl)-1H-benzo[d][1,2,3]triazole
https://huagongshe.com/de/chemical/853751
Identifikatoren & physikalische Daten
| CAS No. | 111198-03-9 |
|---|
| Summenformel | C13H11N3S |
|---|
| Durchschnittliche Molmasse | 241,31 g/mol |
|---|
| Monoisotopische Masse | 241,06736854 g/mol |
|---|
| SMILES | c1ccc(SCn2nnc3ccccc32)cc1 |
|---|
| InChIKey | OEGFHZKARGKVAQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 853751 |
|---|
| EC No. | 631-214-8 |
|---|
| DTXSID | DTXSID60357486 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|
| Polarare Oberfläche (TPSA) | 56 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 17 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 243 |
|---|
| Schmelzpunkt | 89-92 °C(lit.) |
|---|
| Siedepunkt | 418.4±28.0 °C(Predicted) |
|---|
| Dichte | 1.26±0.1 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 1.27±0.30(Predicted) |
|---|
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 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 | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
