Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 98693생성일: 2026년 11월 1일
디페닐카르보디이미드
디페닐카르보디이미드 · N,N'-methanediylidenedianiline · carbodiphenylimide · diphenylcarbodiimide · Bis(phenylimino)methane · N,N'-Diphenylcarbodiimide · N,N'-Diphenylmethanediimine · phenyl(phenyliminomethylene)amine
https://huagongshe.com/ko/chemical/98693
식별자 및 물리적 특성
| CAS No. | 622-16-2 |
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| 분자식 | C13H10N2 |
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| 평균 분자량 | 194.23 g/mol |
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| 단동위원소 질량 | 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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| 현지명 | 디페닐카르보디이미드 |
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화학 및 물리적 성질
| XLogP | 4.6 |
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| 극성 표면적 | 24.7 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 15 |
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| 형식 전하 | 0 |
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| 복잡도 | 201 |
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| SpringerMaterials Properties | Boiling point |
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| 녹는점 | 169°C |
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| 끓는 점 | 320.68°C (rough estimate) |
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| 밀도 | 1.1579 (rough estimate) |
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| 굴절률 | 1.5014 (estimate) |
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| EPA | Benzenamine, N,N'-methanetetraylbis- (622-16-2) |
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안전 및 규제
| 규제 정보 | 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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| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| TSCA 등재 상태 | TSCA listed |
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| 기존화학 물질 | KE-23190 |
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제조 및 합성 방법
제조 방법
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.
