기본 정보
- CAS
62308-14-9- 표준 SMILES
CC1=NN(C2CCS(=O)(=O)C2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1Cl- InChIKey
FNRBXWCMRXIJBE-UHFFFAOYSA-N- 분자식
- C14H14ClN5O5S
- 평균 분자량
- 399.8 g/mol
- 단동위원소 질량
- 399.0404174
이름 및 식별자
- 우선 이름
- 3H-Pyrazol-3-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-
- IUPAC
- 4-[(2-chloro-4-nitrophenyl)diazenyl]-2-(1,1-dioxothiolan-3-yl)-5-methyl-4H-pyrazol-3-one
- 영어명
- 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-3H-pyrazol-3-one S,S-dioxide
- 분자식
- C14H14ClN5O5S
- 분자량
- 399.81
이름 및 동의어
DTXSID808669293H-Pyrazol-3-one, 4-((2-chloro-4-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-, S,S-dioxide3H-Pyrazol-3-one, 4-(2-(2-chloro-4-nitrophenyl)diazenyl)-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-, S,S-dioxide3H-Pyrazol-3-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-RefChem:505804DTXCID6081515762308-14-93H-Pyrazol-3-one, 4-((2-chloro-4-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-EINECS 263-499-6FNRBXWCMRXIJBE-UHFFFAOYSA-N
이름 더 보기
4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-3H-pyrazol-3-one S,S-dioxide3-[[4-[(2-Chloro-4-nitrophenyl)azo]-3,4-dihydro-5-methyl-3-oxo-2H-pyrazol]-2-yl]tetrahydrothiophene 1,1-dioxide
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 759
물리화학적 성질
- EPA
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)- (62308-14-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-, S,S-dioxide
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-one, 4-[2-(2-chloro-4-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-: INACTIVE
관련 반응
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