기본 정보
- CAS
68084-09-3- 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)c2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
ZWCNUFNKRHSFAK-UHFFFAOYSA-J- 분자식
- C34H23N5Na4O16S4
- 평균 분자량
- 977.8 g/mol
- 단동위원소 질량
- 976.9613415
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenedisulfonic acid, 5-amino-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;5-amino-4-hydroxy-3-[[4-[4-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate
- 영어명
- tetrasodium 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate
- 분자식
- C34H23N5Na4O16S4
- 분자량
- 977.7894
이름 및 동의어
68084-09-3EINECS 268-421-42,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-amino-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-amino-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:446430DTXSID8071069Tetrasodium 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulphonato-1-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonateNS00064539Tetrasodium 5-amino-4-hydroxy-3-({4'-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)naphthalene-2,7-disulfonate
물성
구조 계산 물성
- 극성 표면적
- 397 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,930
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt (68084-09-3)
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 Information2,7-Naphthalenedisulfonic acid, 5-amino-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
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