HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Urea, 1-isopropyl-2-thio-
usafd-6 · ISOPROPYLTHIOUREA · 1-Isopropylthiourea · 1-isopropyl-2-thio-ure · 1-ISOPROPYL-2-THIOUREA · 1-Isopropyl-3-thiourea · Thiourea,N-(1-methylethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 1719-76-2 |
|---|---|
| Summenformel | C4H10N2S |
| Durchschnittliche Molmasse | 118,2 g/mol |
| Monoisotopische Masse | 118,05646932 g/mol |
| SMILES | CC(C)NC(N)=S |
| InChIKey | POXAIQSXNOEQGM-UHFFFAOYSA-N |
| PubChem CID | 1711921 |
| EC No. | 605-626-3 |
| DTXSID | DTXSID80169184 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 70,1 |
| Schmelzpunkt | 169-170°C |
| Siedepunkt | 173.8±23.0 °C(Predicted) |
| Dichte | 1.051±0.06 g/cm3(Predicted) |
| Lagerbedingungen | RT, protect from light |
| pKa (Säurekonstante) | 14.68±0.70(Predicted) |
| BRN | 1743052 |
| CAS Datenbank | 1719-76-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (16.7%) |
| UN-Transportnummer | 2811 |
| RTECS-Nr. | YT6125000 |
| R-Sätze (R) | 22 |
| Sicherheitshinweise (S) | 22-36/37/39 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
N-Isopropylthiourea is used as pharmaceutical intermediate.