기본 정보
- CAS
68399-88-2- 표준 SMILES
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(NC(=O)c2cc(Cl)nnc2Cl)cc1S(=O)(=O)O- InChIKey
QMDPJAHMESDXOK-UHFFFAOYSA-N- 분자식
- C21H13Cl2N7O10S2
- 평균 분자량
- 658.4 g/mol
- 단동위원소 질량
- 656.9542374
이름 및 식별자
- 우선 이름
- 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
- IUPAC
- 4-[[4-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
- 영어명
- 4-[[4-[[(3,6-dichloropyridazin-4-yl)carbonyl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
- 분자식
- C21H13Cl2N7O10S2
- 분자량
- 658.4
이름 및 동의어
EINECS 269-995-9DTXSID708873601H-Pyrazole-3-carboxylic acid, 4-((4-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-(2-(4-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-RefChem:439034DTXCID60102665568399-88-2QMDPJAHMESDXOK-UHFFFAOYSA-NNS000635984-((4-(((3,6-Dichloropyridazin-4-yl)carbonyl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
이름 더 보기
4-[[4-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,350
물리화학적 성질
- EPA
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)- (68399-88-2)
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, 4-[2-[4-[[(3,6-dichloro-4-pyridazinyl)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-: INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…