기본 정보
- CAS
70528-91-5- 표준 SMILES
CC1=NN(c2ccccc2)C(=N)C1N=Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]- InChIKey
GHPLSOVHHRFMFR-UHFFFAOYSA-N- 분자식
- C17H16N6O4S
- 평균 분자량
- 400.4 g/mol
- 단동위원소 질량
- 400.09537419
이름 및 식별자
- 우선 이름
- 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-2-phenyl-
- IUPAC
- 5-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-imine
- 영어명
- 2,4-dihydro-5-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-2-phenyl-3H-pyrazol-3-imine
- 분자식
- C17H16N6O4S
- 분자량
- 400.41
이름 및 동의어
DTXSID708872493H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-((4-(methylsulfonyl)-2-nitrophenyl)azo)-2-phenyl-3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-2-phenyl-3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-(2-(4-(methylsulfonyl)-2-nitrophenyl)diazenyl)-2-phenyl-3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-2-phenyl-RefChem:505769DTXCID40102655470528-91-5EINECS 274-661-0GHPLSOVHHRFMFR-UHFFFAOYSA-N2,4-Dihydro-5-methyl-4-((4-(methylsulfonyl)-2-nitrophenyl)azo)-2-phenyl-3H-pyrazol-3-imineNS00061796
이름 더 보기
2,4-Dihydro-5-methyl-4-(4-methylsulfonyl-2-nitrophenylazo)-2-phenyl-3H-pyrazol-3-imine2,4-dihydro-5-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-2-phenyl-3H-pyrazol-3-imine
2,4-Dihydro-5-methyl-4-((4-(methylsulphonyl)-2-nitrophenyl)azo)-2-phenyl-3H-pyrazol-3-imine4-{[4-(Methanesulfonyl)-2-nitrophenyl]diazenyl}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-imine
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 778
물리화학적 성질
- EPA
- 3 H-Pyrazol-3-imine, · 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-2-phenyl- (70528-91-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-2-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-2-phenyl-: INACTIVE
관련 반응
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