기본 정보
- CAS
72927-70-9- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=NC3C(=O)N(c4ccc(S(=O)(=O)[O-])cc4)N=C3C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
IXEVSZSFDXDRLB-UHFFFAOYSA-J- 분자식
- C32H22N8Na4O14S4
- 평균 분자량
- 962.8 g/mol
- 단동위원소 질량
- 961.9729092
이름 및 식별자
- 우선 이름
- [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]-2-sulfonatophenyl]benzenesulfonate
- 영어명
- tetrasodium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonate
- 분자식
- C32H22N8Na4O14S4
- 분자량
- 962.78136
이름 및 동의어
72927-70-9EINECS 277-018-2DTXSID90890255(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-, tetrasodium salt(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:4)(1,1'-Biphenyl)-2,2'-disulfonic acid,4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-(4'-sulfophenyl)-1H-pyrazol-4-yl)azo)-, tetrasodium salt[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-, tetrasodium salt[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4)RefChem:68029DTXCID701079190IXEVSZSFDXDRLB-UHFFFAOYSA-JNS00090728
이름 더 보기
Tetrasodium 4,4-bis((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)(1,1-biphenyl)-2,2-disulphonate
물성
구조 계산 물성
- 극성 표면적
- 377 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,960
물리화학적 성질
- EPA
- 1 · [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-, tetrasodium salt (72927-70-9)
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: [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4)
Other Safety InformationIMAP assessments - [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4): Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-33681
화학 및 산업
용도 및 제조
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:4): ACTIVE
관련 반응
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