기본 정보
- CAS
66214-47-9- 표준 SMILES
COc1cc(-c2ccc(N=Nc3c(O)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc34)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N=NC3C(=O)N(c4ccccc4)N=C3C)c2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
ZPPSKXJGHDUCJN-UHFFFAOYSA-J- 분자식
- C44H30N8Na4O17S4
- 평균 분자량
- 1,163 g/mol
- 단동위원소 질량
- 1,162.0202533
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenedisulfonic acid, 5-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-4-hydroxy-3-(2-(4'-(2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:4)
- IUPAC
- tetrasodium;4-hydroxy-3-[[4-[4-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-2,7-disulfonate
- 영어명
- 2,7-Naphthalenedisulfonic acid, 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt
- 분자식
- C44H35N8NaO17S4
- 분자량
- 1099.03
이름 및 동의어
2,7-Naphthalenedisulfonic acid, 5-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-4-hydroxy-3-(2-(4'-(2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 5-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-hydroxy-3-[2-[4'-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:4)RefChem:44635566214-47-9DTXSID601340601EINECS 266-246-82,7-Naphthalenedisulfonic acid, 5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, tetrasodium saltNS000551505-[2-(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-hydroxy-3-[2-[4a(2)-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3a(2)-dimethoxy[1,1a(2)-biphenyl]-4-yl]diazenyl]-2,7-naphthalenedisulfonic acid sodium (1:4)
물성
구조 계산 물성
- 극성 표면적
- 428 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 77
- 형식 전하
- 0
- 복잡도
- 2,510
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt (66214-47-9)
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 Information
2,7-Naphthalenedisulfonic acid, 5-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-hydroxy-3-[2-[4'-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:4): INACTIVE
관련 반응
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