기본 정보
- CAS
6410-47-5- 표준 SMILES
CC1=NN(N=Nc2c(O)cc(S(=O)(=O)[O-])c3cc([N+](=O)[O-])ccc23)C(=O)C1c1ccc(NC(=O)Nc2ccc(C3C(=O)N(N=Nc4c(O)cc(S(=O)(=O)[O-])c5cc([N+](=O)[O-])ccc45)N=C3C)cc2)cc1.[Na+].[Na+]- InChIKey
NSYCKHSPBPJZSU-UHFFFAOYSA-L- 분자식
- C41H28N12Na2O15S2
- 평균 분자량
- 1,038.8 g/mol
- 단동위원소 질량
- 1,038.10338876
이름 및 식별자
- 우선 이름
- Disodium 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(3-hydroxy-7-nitronaphthalene-1-sulphonate)
- IUPAC
- disodium;3-hydroxy-4-[[4-[4-[[4-[1-[(2-hydroxy-6-nitro-4-sulfonatonaphthalen-1-yl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]phenyl]carbamoylamino]phenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]diazenyl]-7-nitronaphthalene-1-sulfonate
- 영어명
- disodium 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis(3-hydroxy-7-nitronaphthalene-1-sulphonate)
- 분자식
- C41H28N12Na2O15S2
- 분자량
- 1038.84196
이름 및 동의어
6410-47-5DTXSID50889524Disodium 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(3-hydroxy-7-nitronaphthalene-1-sulphonate)Disodium 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis(3-hydroxy-7-nitronaphthalene-1-sulphonate)RefChem:339143DTXCID201030882229-109-31-Naphthalenesulfonic acid, 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo))bis(3-hydroxy-7-nitro-, disodium salt1-Naphthalenesulfonic acid, 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[3-hydroxy-7-nitro-, disodium saltEINECS 229-109-3SCHEMBL296377981-Naphthalenesulfonic acid, 4,4'-(carbonylbis(imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)-2,1-diazenediyl))bis(3-hydroxy-7-nitro-, sodium salt (1:2)
이름 더 보기
물성
구조 계산 물성
- 극성 표면적
- 419 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 2,200
물리화학적 성질
- EPA
- 1 · 1-Naphthalenesulfonic acid, 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[3-hydroxy-7-nitro-, disodium salt (6410-47-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 1-Naphthalenesulfonic acid, 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[3-hydroxy-7-nitro-, disodium salt
Other Safety InformationIMAP assessments - 1-Naphthalenesulfonic acid, 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[3-hydroxy-7-nitro-, disodium salt: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1-Naphthalenesulfonic acid, 4,4'-[carbonylbis[imino-4,1-phenylene(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)-2,1-diazenediyl]]bis[3-hydroxy-7-nitro-, sodium salt (1:2): INACTIVE
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