HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(p-Chlorbenzyl)isothiouroniumchlorid
MP265, 10 mM in DMSO · QAVHMIYSTFZJAU-UHFFFAOYSA-N · 4-CHLOROBENZYL CARBAMIMIDOTHIOATE HCL · S-(4-CHLOROBENZYL)-THIURONIUM CHLORIDE · p-chlorobenzylpseudothiuroniumchloride · S-(4-CHLORBENZYL)-ISOTHIOHARNSTOFF HYDRO · 2-(p-chlorobenzyl)isothiouronium chloride · 2-(4-chlorobenzyl)isothiouronium chloride
Identifikatoren & physikalische Daten
| CAS No. | 544-47-8 |
|---|---|
| Summenformel | C8H10Cl2N2S |
| Durchschnittliche Molmasse | 237,15 g/mol |
| Monoisotopische Masse | 235,9941749 g/mol |
| SMILES | Cl.N=C(N)SCc1ccc(Cl)cc1 |
| InChIKey | QAVHMIYSTFZJAU-UHFFFAOYSA-N |
| PubChem CID | 68342 |
| ChEMBL | CHEMBL1224312 |
| EC No. | 208-871-0 |
| DTXSID | DTXSID0060270 |
| Lokaler Name | 2-(p-Chlorbenzyl)isothiouroniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 75,2 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 200-202°C |
| Dichte | 1.4757 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Merck | 14,2128 |
| CAS Datenbank | 544-47-8 |
| EPA chemische Informationen | Carbamimidothioic acid, (4-chlorophenyl)methyl ester, monohydrochloride (544-47-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.4%): 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 (97.4%) |
| TSCA-Inventar-Status | TSCA listed |
| RTECS-Nr. | UM0950000 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
Identification of organic acids.