기본 정보
- CAS
72829-26-6- 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)n2)ccc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
NMXIYULPLGQHTR-UHFFFAOYSA-K- 분자식
- C26H17Cl3N9Na3O10S3
- 평균 분자량
- 887 g/mol
- 단동위원소 질량
- 884.901917
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium salt
- IUPAC
- trisodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
- 영어명
- trisodium 4-[[4-chloro-6-[(2-methyl-4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate
- 분자식
- C26H17Cl3N9Na3O10S3
- 분자량
- 886.99079
이름 및 동의어
72829-26-6Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, trisodium saltBenzenesulfonic acid, 4-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, trisodium saltEINECS 276-913-5NMXIYULPLGQHTR-UHFFFAOYSA-KDTXSID9013411411-(2',5'-Dichloro-4'-sulfophenyl)-3-methyl-4-(2''-sulfo-5''-(4'''-chloro-6'''-(2''''-methyl-4''''-sulfophenylamino)-1''',3''',5'''-triazinyl-2'''-amino)phenylazo)-5-pyrazolone, sodium saltBenzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:3)Benzenesulfonic acid, 4-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-s-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulfophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)azo)-, trisodium saltNS00062719Trisodium 2,5-dichloro-4-{4-[(5-{[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonateTrisodium 4-((4-chloro-6-((2-methyl-4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonate
이름 더 보기
trisodium 4-[[4-chloro-6-[(2-methyl-4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate4-[[4-Chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]benzenesulfonic acid trisodium saltBenzenesulfonic acid,4-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-,sodium salt (1:3)
데이터베이스 식별자
- CAS
72829-26-6- PubChem CID
- 175198
- DTXSID
DTXSID901341141- EC Number
- 276-913-5
- Nikkaji
- J318.857D
물성
구조 계산 물성
- 극성 표면적
- 317 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,640
물리화학적 성질
- EPA
- 4 · Benzenesulfonic acid, 4-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, trisodium salt (72829-26-6)
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-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:3): INACTIVE
공급사1 곳
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