기본 정보
- CAS
17828-77-2- 표준 SMILES
COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1N=NC1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C- InChIKey
STMNKFHLAVUWNY-UHFFFAOYSA-N- 분자식
- C19H20N4O11S3
- 평균 분자량
- 576.6 g/mol
- 단동위원소 질량
- 576.02907099
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
- IUPAC
- 4-[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
- 영어명
- 4-[4-[2-Methoxy-5-(2-sulfooxyethylsulfonyl)phenylazo]-3-methyl-5-oxo-2-pyrazolin-1-yl]benzenesulfonic acid
- 분자식
- C19H20N4O11S3
- 분자량
- 576.58
이름 및 동의어
DTXSID00886205Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-RefChem:564496DTXCID40102554456892-20-7Benzenesulfonic acid, 4-(4,5-dihydro-4-((2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-{4-[(e)-(2-methoxy-5-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl}benzenesulfonic acidDTXSID70275900STMNKFHLAVUWNY-UHFFFAOYSA-NDB-295061
이름 더 보기
4-[4-[2-Methoxy-5-(2-sulfooxyethylsulfonyl)phenylazo]-3-methyl-5-oxo-2-pyrazolin-1-yl]benzenesulfonic acid
17828-77-24-[4-({2-Methoxy-5-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid4-[4-[2-Methoxy-5-(2-sulfooxyethylsulfonyl)phenylazo]-3-methyl-5-oxo-2-pyrazolin-1-yl ]benzenesulfonic acid4-{4-[(E)-{2-Methoxy-5-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 244 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,210
물리화학적 성질
- 밀도
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.84 · -3.84±0.18(Predicted)
- EPA
- 4 · Benzenesulfonic acid, 4-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]- (56892-20-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-: INACTIVE
관련 반응
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