Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 166316생성일: 2026년 10월 28일
Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-methyl-3-(((4-methylphenyl)amino)sulfonyl)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-
Einecs 280-097-6 · p-(4,5-Dihydro-3-methyl-4-((4-methyl-3-((p-tolylamino)sulphonyl)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid · 4-[4,5-dihydro-3- methyl-4-[[4-methyl-3-[[(4-methylphenyl)amino]sulfonyl]phenyl]azo]-5-oxo-1H-pyrazBenzenesulfonic acid · Benzenesulfonic acid, 4-4,5-dihydro-3-methyl-4-4-methyl-3-(4-methylphenyl)aminosulfonylphenylazo-5-oxo-1H-pyrazol-1-yl- · p-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[(p-tolylamino)sulphonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid · 4-[[4,5-Dihydro-3-methyl-4-[[4-methyl-3-[[(4-methylphenyl)amino]sulfonyl]phenyl]azo]-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid · Benzenesulfonic acid,4-[4,5-dihydro-3-methyl-4-[2-[4-methyl-3-[[(4-methylphenyl)amino]sulfonyl]phenyl]diazenyl]-5-oxo-1H-pyrazol-1-yl]-
https://huagongshe.com/ko/chemical/166316
식별자 및 물리적 특성
| CAS No. | 83006-47-7 |
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| 분자식 | C24H23N5O6S2 |
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| 평균 분자량 | 541.6 g/mol |
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| 단동위원소 질량 | 541.10897582 g/mol |
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| SMILES | CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 |
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| InChIKey | BQDUPLJLYXLYCF-UHFFFAOYSA-N |
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| PubChem CID | 166316 |
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| EC No. | 280-097-6 |
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화학 및 물리적 성질
| XLogP | 3.3 |
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| 극성 표면적 | 175 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 10 |
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| 회전 가능 결합 수 | 7 |
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| 무거운 원자 수 | 37 |
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| 형식 전하 | 0 |
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| 복잡도 | 1,100 |
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| 밀도 | 1.478±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa(산도 계수) | -0.547±0.50(predicted) |
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