HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Butylharnstoff
BUTYLUREA · butyl-ure · NCI-C02131 · UREA,BUTYL- · 1-Butylurea · N-BUTYLUREA · monobutylurea · urea,N-butyl-
Identifikatoren & physikalische Daten
| CAS No. | 592-31-4 |
|---|---|
| Summenformel | C5H12N2O |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,094963 g/mol |
| SMILES | CCCCNC(N)=O |
| InChIKey | CNWSQCLBDWYLAN-UHFFFAOYSA-N |
| PubChem CID | 11595 |
| ChEMBL | CHEMBL3182932 |
| EC No. | 209-748-4 |
| DTXSID | DTXSID6020222 |
| Lokaler Name | Butylharnstoff |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,8 |
| Stoffklassen | Nitrogen Compounds -> Urea Compounds |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 0.41 |
| Geruch | ODORLESS |
| Color/Form | TABLETS FROM WATERNEEDLES FROM BENZENEWHITE SOLID |
| Löslichkeit | 10 to 50 mg/mL at 64 °F (NTP, 1992)VERY SOL IN WATER, ALCOHOLSOL IN ETHERMethanolsoluble |
| Schmelzpunkt | 205 °F (NTP, 1992)96 °C95-98 °C (lit.) |
| Dampfdruck | 0.03 [mmHg] |
| Physical Description | N-butylurea is an odorless white solid. (NTP, 1992)White odorless solid[Hawley] |
| Other Experimental Properties | DECOMPOSES ON HEATING |
| Siedepunkt | 217.23°C (rough estimate) |
| Dichte | 1.0551 (rough estimate) |
| Brechungsindex | 1.4432 (estimate) |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.38±0.46(Predicted) |
| Farbe | White |
| BRN | 1744775 |
| InChI | 1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8) |
| InChIKey | CNWSQCLBDWYLAN-UHFFFAOYSA-N |
| SMILES | CCCCNC(N)=O |
| CAS Datenbank | 592-31-4(CAS DataBase Reference) |
| NIST chemische Informationen | Urea, butyl-(592-31-4) |
| EPA chemische Informationen | Butylurea (592-31-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 85 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound emits toxic fumes when heated to decomposition. (NTP, 1992) |
| Gefahrenübersicht | A CNS depressant[ChemIDplus] Affects sister chromatid exchange in in-vitro studies[HSDB] Causes general anesthesia and somnolence in parenteral lethal-dose studies of mice[RTECS] May cause irritation[Alfa Aesar MSDS] |
| Reaktive Gruppe | Amides and Imides |
| Reactivity Profile | N-BUTYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). This compound decomposes on heating. (NTP, 1992) |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Anwendungen & Verwendung
Verwenden
n-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.