기본 정보
- CAS
70210-09-2- 표준 SMILES
Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]- InChIKey
BBCXHOYGGYKBRN-UHFFFAOYSA-N- 분자식
- C17H16N6O4S
- 평균 분자량
- 400.4 g/mol
- 단동위원소 질량
- 400.09537419
이름 및 식별자
- 우선 이름
- 1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-
- IUPAC
- 3-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-1-phenylpyrazol-5-amine
- 영어명
- 3-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-1-phenyl-1H-pyrazol-5-amine
- 분자식
- C17H16N6O4S
- 분자량
- 400.41
이름 및 동의어
1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-DTXSID70720441H-Pyrazol-5-amine, 3-methyl-4-((4-(methylsulfonyl)-2-nitrophenyl)azo)-1-phenyl-RefChem:438921DTXCID504664770210-09-21H-Pyrazol-5-amine, 3-methyl-4-(2-(4-(methylsulfonyl)-2-nitrophenyl)diazenyl)-1-phenyl-EINECS 274-406-31H-Pyrazol-5-amine, 3-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-FA3DT29VPTBBCXHOYGGYKBRN-UHFFFAOYSA-NNS00037020
이름 더 보기
3-Methyl-4-[4-(methylsulfonyl)-2-nitrophenylazo]-1-phenyl-1H-pyrazol-5-amine3-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-1-phenyl-1H-pyrazol-5-amine1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl) -2-nitrophenyl]azo]-1-phenyl-
3-Methyl-4-((4-(methylsulphonyl)-2-nitrophenyl)azo)-1-phenyl-1H-pyrazol-5-amine3-Methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-1H-pyrazol-5-amine4-{[4-(Methanesulfonyl)-2-nitrophenyl]diazenyl}-3-methyl-1-phenyl-1H-pyrazol-5-amine
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 685
물리화학적 성질
- 끓는 점
- 694.4 · 694.4±55.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.29 · -0.29±0.10(Predicted)
- EPA
- 1 H-Pyrazol-5-amine, · 1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl- (70210-09-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-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 Information1H-Pyrazol-5-amine, 3-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-: INACTIVE
공급사1 곳
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