Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 101006생성일: 2026년 11월 4일
1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-((3-((phenylsulphonyl)oxy)phenyl)azo)nicotinonitrile
Einecs 261-693-5 · 5-[3-(Phenylsulfonyloxy)phenylazo]-3-cyano-6-hydroxy-1,4-dimethyl-2-pyridone · [3-[(2Z)-2-(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]phenyl] benzenesulfonate · 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile · 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-3-(phenylsulfonyl)oxyphenylazo- · 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-3-pyridinecarbonitrile · 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-(2-(3-((phenylsulfonyl)oxy)phenyl)diazenyl)-
https://huagongshe.com/ko/chemical/101006
식별자 및 물리적 특성
| CAS No. | 59312-61-7 |
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| 분자식 | C20H16N4O5S |
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| 평균 분자량 | 424.4 g/mol |
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| 단동위원소 질량 | 424.0841408 g/mol |
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| SMILES | Cc1c(C#N)c(O)n(C)c(=O)c1N=Nc1cccc(OS(=O)(=O)c2ccccc2)c1 |
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| InChIKey | BDXBNMODQSESLA-UHFFFAOYSA-N |
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| PubChem CID | 101006 |
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| EC No. | 261-693-5 |
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| DTXSID | DTXSID1069322 |
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화학 및 물리적 성질
| XLogP | 3.2 |
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| 극성 표면적 | 141 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 8 |
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| 회전 가능 결합 수 | 5 |
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| 무거운 원자 수 | 30 |
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| 형식 전하 | 0 |
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| 복잡도 | 932 |
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| 끓는 점 | 556.2±50.0 °C(Predicted) |
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| 밀도 | 1.38±0.1 g/cm3(Predicted) |
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| 증기압 | 0Pa at 25℃ |
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| pKa(산도 계수) | 1.66±0.58(Predicted) |
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| 용해도 | 700ng/L at 20℃ |
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| LogP(분배 계수) | 5.39 at 20℃ |
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| EPA | 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]- (59312-61-7) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 54.6% (53 of 97) of all reports.H413 (45.4%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 97 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-REACH registered substance: 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile (EC: 261-693-5)3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-3-(phenylsulfonyl)oxyphenylazo-: 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 | IMAP assessments - 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-: Human health tier I assessment |
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| Hazard Classes and Categories | Aquatic Chronic 4 (45.4%) |
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| TSCA 등재 상태 | TSCA listed |
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