기본 정보
- CAS
73157-52-5- 표준 SMILES
Cc1c(C#N)c(O)[nH]c(=O)c1N=Nc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1- InChIKey
RWKZJPHHITZEIU-UHFFFAOYSA-N- 분자식
- C23H20N4O3
- 평균 분자량
- 400.4 g/mol
- 단동위원소 질량
- 400.15354051
이름 및 식별자
- 우선 이름
- 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[2-[4-[4-(1-methylethyl)benzoyl]phenyl]diazenyl]-2-oxo-
- IUPAC
- 2-hydroxy-4-methyl-6-oxo-5-[[4-(4-propan-2-ylbenzoyl)phenyl]diazenyl]-1H-pyridine-3-carbonitrile
- 영어명
- 1,2-dihydro-6-hydroxy-5-[[4-[4-(isopropyl)benzoyl]phenyl]azo]-4-methyl-2-oxonicotinonitrile
- 분자식
- C23H20N4O3
- 분자량
- 400.43
이름 및 동의어
DTXSID708883723-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-((4-(4-(1-methylethyl)benzoyl)phenyl)azo)-2-oxo-3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo-3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-(2-(4-(4-(1-methylethyl)benzoyl)phenyl)diazenyl)-2-oxo-3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[2-[4-[4-(1-methylethyl)benzoyl]phenyl]diazenyl]-2-oxo-RefChem:505115DTXCID90102765273157-52-5EINECS 277-305-2RWKZJPHHITZEIU-UHFFFAOYSA-NNS000594231,2-Dihydro-6-hydroxy-5-((4-(4-(isopropyl)benzoyl)phenyl)azo)-4-methyl-2-oxonicotinonitrile
이름 더 보기
C.I. Disperse Yellow 2271,2-dihydro-6-hydroxy-5-[[4-[4-(isopropyl)benzoyl]phenyl]azo]-4-methyl-2-oxonicotinonitrile
6-Hydroxy-4-methyl-2-oxo-5-({4-[4-(propan-2-yl)benzoyl]phenyl}diazenyl)-1,2-dihydropyridine-3-carbonitrile
데이터베이스 식별자
- CAS
73157-52-5- PubChem CID
- 166405
- DTXSID
DTXSID70888372- EC Number
- 277-305-2
- Nikkaji
- J60.942K
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 830
물리화학적 성질
- 끓는 점
- 546 · 546.0±50.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.78 · 0.78±0.58(Predicted)
- EPA
- 3 · 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo- (73157-52-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo-
Other Safety InformationIMAP assessments - 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo-: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-07660
화학 및 산업
용도 및 제조
General Manufacturing Information3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[2-[4-[4-(1-methylethyl)benzoyl]phenyl]diazenyl]-2-oxo-: INACTIVE
공급사1 곳
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