HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Diisopropylharnstoff
DIU · NSC 112719 · Diptocarpamidine · 3-diisopropylurea · 1,3-diisopropylurea · N,N'-diisopropylurea · Bosutinib Impurity 30 · Bosutinib Impurity 15
Identifikatoren & physikalische Daten
| CAS No. | 4128-37-4 |
|---|---|
| Summenformel | C7H16N2O |
| Durchschnittliche Molmasse | 144,21 g/mol |
| Monoisotopische Masse | 144,12626313 g/mol |
| SMILES | CC(C)NC(=O)NC(C)C |
| InChIKey | BGRWYRAHAFMIBJ-UHFFFAOYSA-N |
| PubChem CID | 20084 |
| ChEMBL | CHEMBL3186988 |
| EC No. | 223-940-5 |
| DTXSID | DTXSID6044486 |
| Lokaler Name | 1,3-Diisopropylharnstoff |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 98,2 |
| Schmelzpunkt | 185-190℃ |
| Siedepunkt | 265℃ |
| Dichte | 0.903 |
| Flammpunkt | 113℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 14.05±0.46(Predicted) |
| Farbe | White |
| EPA chemische Informationen | N,N'-Bis(isopropyl)urea (4128-37-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): 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 3 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. 4 (33.3%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2924190090 |
Anwendungen & Verwendung
Verwenden
1,3-Diisopropylurea is one of the photocatalyzed degradation products of the herbicide Bromacil.