Tetrasodium 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate
기본 정보
- CAS
89923-42-2- 표준 SMILES
CC1=NN(c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)C(=O)C1N=Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)[O-])cc3C(=O)[O-])n2)ccc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
PBBABYGTFMOYLX-UHFFFAOYSA-J- 분자식
- C26H14Cl3N9Na4O12S3
- 평균 분자량
- 939 g/mol
- 단동위원소 질량
- 936.858041
이름 및 식별자
- 우선 이름
- Tetrasodium 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoate
- IUPAC
- tetrasodium;2-[[4-chloro-6-[3-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-5-sulfonatobenzoate
이름 및 동의어
89923-42-2EINECS 289-536-6Tetrasodium 2-((4-chloro-6-((3-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-5-sulphonatobenzoateUNII-5NR2M7B6OJPBBABYGTFMOYLX-UHFFFAOYSA-JDTXSID401009051NS00092397Tetrasodium 2-({6-chloro-4-[(3-{[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-4-sulfonatophenyl)imino]-3,4-dihydro-1,3,5-triazin-2(1H)-ylidene}amino)-5-sulfonatobenzoate
데이터베이스 식별자
- CAS
89923-42-2- PubChem CID
- 11971061
- DTXSID
DTXSID401009051- EC Number
- 289-536-6
- Nikkaji
- J348.610I
물성
구조 계산 물성
- 극성 표면적
- 357 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,730
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzoic acid, 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, tetrasodium salt
Other Safety InformationIMAP assessments - Benzoic acid, 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, tetrasodium salt: Human health tier I assessment
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