Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 103705생성일: 2026년 10월 26일
1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]-
Einecs 258-267-6 · 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-o-tolyl]phthalide · 3-[2,4-Bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]isobenzofuran-1(3H)-one · 3-(2,4-Bis(dimethylamino)phenyl)-4,5,6,7-tetrachloro-3-(4-(diethylamino)-2-methylphenyl)-1(3H)-isobenzofuranone · 1(3H)-Isobenzofuranone, 3-(2,4-bis(dimethylamino)phenyl)-4,5,6,7-tetrachloro-3-(4-(diethylamino)-2-methylphenyl)-
https://huagongshe.com/ko/chemical/103705
식별자 및 물리적 특성
| CAS No. | 52941-80-7 |
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| 분자식 | C29H31Cl4N3O2 |
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| 평균 분자량 | 595.4 g/mol |
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| 단동위원소 질량 | 593.11703795 g/mol |
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| SMILES | CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(C)c1 |
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| InChIKey | LZWSYWIGDLCLBE-UHFFFAOYSA-N |
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| PubChem CID | 103705 |
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| EC No. | 258-267-6 |
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| DTXSID | DTXSID60886024 |
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화학 및 물리적 성질
| XLogP | 8.5 |
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| 극성 표면적 | 36 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 5 |
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| 회전 가능 결합 수 | 7 |
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| 무거운 원자 수 | 38 |
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| 형식 전하 | 0 |
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| 복잡도 | 830 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| 끓는 점 | 738.5±60.0 °C(Predicted) |
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| 밀도 | 1.341±0.06 g/cm3(Predicted) |
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| pKa(산도 계수) | 5.67±0.50(Predicted) |
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| EPA | 1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]- (52941-80-7) |
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![1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)-2-methylphenyl]- 분자 구조식](/img/chemical/103705.png)