5-[2-(4-Chloro-2-nitrophenyl)diazenyl]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-3-pyridinecarbonitrile
기본 정보
- CAS
83748-27-0- 표준 SMILES
CCCn1c(O)c(C#N)c(C)c(N=Nc2ccc(Cl)cc2[N+](=O)[O-])c1=O- InChIKey
YOXAAGNCYGONKU-UHFFFAOYSA-N- 분자식
- C16H14ClN5O4
- 평균 분자량
- 375.76 g/mol
- 단동위원소 질량
- 375.0734316
이름 및 식별자
- 우선 이름
- 5-[2-(4-Chloro-2-nitrophenyl)diazenyl]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-3-pyridinecarbonitrile
- IUPAC
- 5-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
- 영어명
- 3-Pyridinecarbonitrile, 5-[(4-chloro-2-nitrophenyl) azo]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl -
- 분자식
- C16H14ClN5O4
- 분자량
- 375.77
이름 및 동의어
83748-27-05-(2-(4-Chloro-2-nitrophenyl)diazenyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-3-pyridinecarbonitrile5-[2-(4-Chloro-2-nitrophenyl)diazenyl]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-3-pyridinecarbonitrileRefChem:2993603-Pyridinecarbonitrile, 5-[(4-chloro-2-nitrophenyl)azo]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-3-Pyridinecarbonitrile, 5-((4-chloro-2-nitrophenyl)azo)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-DTXSID7072888VLTRHTFWSPEJMD-UHFFFAOYSA-NYOXAAGNCYGONKU-UHFFFAOYSA-N3-Pyridinecarbonitrile, 5-(2-(4-chloro-2-nitrophenyl)diazenyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-5-[(4-Chloro-2-nitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propyl-1,6-dihydropyridine-3-carbonitrile3-Pyridinecarbonitrile, 5-[(4-chloro-2-nitrophenyl) azo]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl -
데이터베이스 식별자
- CAS
83748-27-0- PubChem CID
- 174327
- DTXSID
DTXSID7072888- Nikkaji
- J43.043I
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 745
물리화학적 성질
- 끓는 점
- 484.238 · 484.238±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.459 · 1.459±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 0.877 · 0.877±0.58(predicted)
- EPA
- 3 · 3-Pyridinecarbonitrile, 5-[(4-chloro-2-nitrophenyl)azo]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl- (83748-27-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-05-0328
화학 및 산업
용도 및 제조
General Manufacturing Information3-Pyridinecarbonitrile, 5-[2-(4-chloro-2-nitrophenyl)diazenyl]-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-propyl-: ACTIVE
관련 반응
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