HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 98693Erstellt: 31. Oktober 2026
Diphenylcarbodiimid
N,N'-methanediylidenedianiline · carbodiphenylimide · diphenylcarbodiimide · Bis(phenylimino)methane · N,N'-Diphenylcarbodiimide · N,N'-Diphenylmethanediimine · phenyl(phenyliminomethylene)amine · Benzenamine, N,N-methanetetraylbis-
https://huagongshe.com/de/chemical/98693
Identifikatoren & physikalische Daten
| CAS No. | 622-16-2 |
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| Summenformel | C13H10N2 |
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| Durchschnittliche Molmasse | 194,23 g/mol |
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| Monoisotopische Masse | 194,08439832 g/mol |
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| SMILES | C(=Nc1ccccc1)=Nc1ccccc1 |
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| InChIKey | CMESPBFFDMPSIY-UHFFFAOYSA-N |
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| PubChem CID | 98693 |
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| EC No. | 210-721-4 |
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| DTXSID | DTXSID3060746 |
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| Lokaler Name | Diphenylcarbodiimid |
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Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
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| Polarare Oberfläche (TPSA) | 24,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 201 |
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| SpringerMaterials Properties | Boiling point |
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| Schmelzpunkt | 169°C |
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| Siedepunkt | 320.68°C (rough estimate) |
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| Dichte | 1.1579 (rough estimate) |
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| Brechungsindex | 1.5014 (estimate) |
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| EPA chemische Informationen | Benzenamine, N,N'-methanetetraylbis- (622-16-2) |
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Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Benzenamine, N,N'-methanetetraylbis-Benzenamine, N,N'-methanetetraylbis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| TSCA-Inventar-Status | TSCA listed |
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Herstellung & Synthese
synthetische
Triphenylphosphine (2.62 g, 0.01 mol) in THF (10 mL) was added dropwise to N,N'-diphenylthiourea (2.28 g, 0.01 mol) and diethyl azodicarboxylate (1.74 g, 0.01 mol) in THF (20 mL) at room temperature. After standing overnight, the solvent was removed under reduced pressure and the residue was extracted with light petroleum (bp 30–60 C°) to separate soluble material from the remainder. The light petroleum extract was concentrated and distilled to give diphenylcarbodiimide; bp 85–90 C°/ 0.2 mmHg, 1.27 g, 65%. A further development of the method by immobilization of DEAD effects an easily separable (insoluble) and non-explosive reagent in Mitsunobu reactions. The methyl azodicarboxylate reagent immobilized on polystyrene 1742 functions well in Mitsunobu reactions and gives yields comparable to those obtained with soluble DEAD. Diphenylcarbodiimide was obtained in 41% yield.
