1h-pyrazole-3-carboxylic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo))bis(1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt
기본 정보
- CAS
85959-10-0- 표준 SMILES
O=C(O)C1=NN(c2ccccc2Cl)C(=O)C1N=Nc1cc(Nc2nc(Cl)nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Cl)nc(Nc6ccc(S(=O)(=O)[O-])c(N=NC7C(=O)N(c8ccccc8Cl)N=C7C(=O)O)c6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)n2)ccc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
FSAYAIVKILCBPI-RVAULOGLSA-J- 분자식
- C52H30Cl4N18Na4O18S4
- 평균 분자량
- 1,556.9 g/mol
- 단동위원소 질량
- 1,553.921319
이름 및 식별자
- 우선 이름
- 1h-pyrazole-3-carboxylic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo))bis(1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt
- IUPAC
- tetrasodium;5-[[4-[3-[[3-carboxy-1-(2-chlorophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[3-[[3-carboxy-1-(2-chlorophenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
이름 및 동의어
EINECS 289-000-11H-Pyrazole-3-carboxylic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo))bis(1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt85959-10-01H-Pyrazole-3-carboxylic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4, 2-diyl)imino(6-sulfo-3,1-phenylene)azo))bis(1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium saltRefChem:438994289-000-1
데이터베이스 식별자
- CAS
85959-10-0- PubChem CID
- 56843250
- EC Number
- 289-000-1
물성
구조 계산 물성
- 극성 표면적
- 577 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 100
- 형식 전하
- 0
- 복잡도
- 3,210
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: 1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt
Other Safety Information
IMAP assessments - 1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
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