Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 119813생성일: 2026년 11월 4일
3-((4-((5,6-Dichloro-2-benzothiazolyl)azo)-3-methylphenyl)ethylamino)propiononitrile
3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]-Propanenitrile · 3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]propiononitrile · 3-[N-[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]-N-ethyl]amino-Propionitrile · Propanenitrile, 3-[[4-[2-(5,6-dichloro-2-benzothiazolyl)diazenyl]-3-methylphenyl]ethylamino]-
https://huagongshe.com/ko/chemical/119813
식별자 및 물리적 특성
| CAS No. | 28080-90-2 |
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| 분자식 | C19H17Cl2N5S |
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| 평균 분자량 | 418.3 g/mol |
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| 단동위원소 질량 | 417.0581721 g/mol |
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| SMILES | CCN(CCC#N)c1ccc(N=Nc2nc3cc(Cl)c(Cl)cc3s2)c(C)c1 |
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| InChIKey | QPFHNWRKKQLCMG-UHFFFAOYSA-N |
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| PubChem CID | 119813 |
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| EC No. | 248-824-1 |
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| DTXSID | DTXSID90885409 |
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화학 및 물리적 성질
| XLogP | 6.3 |
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| 극성 표면적 | 92.9 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 6 |
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| 회전 가능 결합 수 | 6 |
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| 무거운 원자 수 | 27 |
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| 형식 전하 | 0 |
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| 복잡도 | 568 |
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| 끓는 점 | 617.192±65.00 °C(Press: 760.00 Torr)(predicted) |
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| 밀도 | 1.368±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa(산도 계수) | 2.270±0.50(predicted) |
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| EPA | Propanenitrile, 3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]- (28080-90-2) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (10 of 10) of all reports.Not ClassifiedAggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | Chemical: Propanenitrile, 3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]- |
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| Hazard Classes and Categories | Not Classified |
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| TSCA 등재 상태 | TSCA listed |
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