Identifikatoren & physikalische Daten
| CAS No. | 26763-63-3 |
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| Summenformel | C13H12N2O |
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| Durchschnittliche Molmasse | 212,25 g/mol |
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| Monoisotopische Masse | 212,094963 g/mol |
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| SMILES | NC(=O)N(c1ccccc1)c1ccccc1 |
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| InChIKey | XKAFKUGMXFMRCC-UHFFFAOYSA-N |
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| PubChem CID | 33603 |
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| ChEMBL | CHEMBL169502 |
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| EC No. | 210-048-6 |
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| DTXSID | DTXSID7025184 |
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| Lokaler Name | 1,1-Diphenylharnstoff |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 46,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 212 |
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| SpringerMaterials Properties | Boiling point |
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| Dichte | 1.276 (NTP, 1992) - Denser than waterwill sink1.2760 |
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| Löslichkeit | less than 1 mg/mL at 72 °F (NTP, 1992) |
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| Siedepunkt | Decomposes (NTP, 1992)352.09°C (rough estimate) |
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| Schmelzpunkt | 372 °F (NTP, 1992)189°C |
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| Physical Description | Asym-diphenylurea appears as needles or white crystals. (NTP, 1992) |
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| Brechungsindex | 1.6920 (estimate) |
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| pKa (Säurekonstante) | 15.11±0.50(Predicted) |
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| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
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| EPA chemische Informationen | 1,1-Diphenylurea (603-54-3) |
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Sicherheit & Vorschriften
| Brandgefahren | Flash point data for this compound are not available, but it is probably combustible. (NTP, 1992) |
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| Reaktive Gruppe | Amides and Imides |
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| Reactivity Profile | ASYM-DIPHENYLUREA 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). |
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| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air or light. (NTP, 1992). Insoluble in water. |
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| Brandbekämpfung | Fires involving this compound can be controlled using a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992) |
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| 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. |
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| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
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| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
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