기본 정보
- CAS
68084-25-3- 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(Nc3ccccc3)ccc2c1O.[Na+].[Na+].[Na+]- InChIKey
ZZPKGZACGOSMHY-UHFFFAOYSA-K- 분자식
- C40H28N5Na3O13S3
- 평균 분자량
- 951.8 g/mol
- 단동위원소 질량
- 951.05388233
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(4'-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)
- IUPAC
- trisodium;4-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
- 영어명
- 3-Hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-2,7-naphthalenedisulfonic acid trisodium salt
- 분자식
- C40H31N5O13S3.3Na
- 분자량
- 954.88
이름 및 동의어
68084-25-3DTXSID908899272,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, trisodium salt2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(4'-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-[4'-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:3)2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium saltRefChem:83457DTXCID401036305Trisodium 4-({4'-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)-3-hydroxynaphthalene-2,7-disulfonate3-Hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-2,7-naphthalenedisulfonic acid trisodium salt
물성
구조 계산 물성
- 극성 표면적
- 317 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,830
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt (68084-25-3)
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, 3-hydroxy-4-[2-[4'-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:3): INACTIVE
관련 반응
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