기본 정보
- CAS
68399-87-1- 표준 SMILES
Cc1c(N2N=C(C(=O)O)C(N=Nc3ccccc3S(=O)(=O)O)C2=O)cc(NC(=O)c2cc(Cl)nnc2Cl)cc1S(=O)(=O)O- InChIKey
ZRDUNOGZJOMOGI-UHFFFAOYSA-N- 분자식
- C22H15Cl2N7O10S2
- 평균 분자량
- 672.4 g/mol
- 단동위원소 질량
- 670.9698874
이름 및 식별자
- 우선 이름
- 1H-Pyrazole-3-carboxylic acid, 1-[5-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[2-(2-sulfophenyl)diazenyl]-
- IUPAC
- 1-[5-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methyl-3-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
- 영어명
- 1-[5-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulphophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid
- 분자식
- C22H15Cl2N7O10S2
- 분자량
- 672.43
이름 및 동의어
DTXSID608873591H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-(2-(2-sulfophenyl)diazenyl)-1H-Pyrazole-3-carboxylic acid, 1-[5-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[2-(2-sulfophenyl)diazenyl]-RefChem:438990DTXCID90102665468399-87-11H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-((2-sulfophenyl)azo)-1H-Pyrazole-3-carboxylic acid, 1-[5-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[(2-sulfophenyl)azo]-EINECS 269-994-3ZRDUNOGZJOMOGI-UHFFFAOYSA-NNS000620311-(5-(((3,6-Dichloropyridazin-4-yl)carbonyl)amino)-2-methyl-3-sulphophenyl)-4,5-dihydro-5-oxo-4-((2-sulphophenyl)azo)-1H-pyrazole-3-carboxylic acid
이름 더 보기
1-[2-Methyl-3-sulfo-5-(3,6-dichloro-4-pyridazinylcarbonylamino)phenyl]-4-(2-sulfophenylazo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid1-[5-[[(3,6-Dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[(2-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid1-[5-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-methyl-3-sulphophenyl]-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid
1-[5-(3,6-Dichloropyridazine-4-carboxamido)-2-methyl-3-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
데이터베이스 식별자
- CAS
68399-87-1- PubChem CID
- 110139
- DTXSID
DTXSID60887359- EC Number
- 269-994-3
- Nikkaji
- J349.395D
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,390
물리화학적 성질
- EPA
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 1-[5-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[(2-sulfophenyl)azo]- (68399-87-1)
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 Information1H-Pyrazole-3-carboxylic acid, 1-[5-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-methyl-3-sulfophenyl]-4,5-dihydro-5-oxo-4-[2-(2-sulfophenyl)diazenyl]-: INACTIVE
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