기본 정보
- CAS
71701-30-9- 표준 SMILES
Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc4c3O)c(C)c2)ccc1N=Nc1ccc(OS(=O)(=O)c2ccccc2)cc1.[Na+].[Na+]- InChIKey
BCVVFDBXXWKNJU-UHFFFAOYSA-L- 분자식
- C36H26N4Na2O10S3
- 평균 분자량
- 816.8 g/mol
- 단동위원소 질량
- 816.06064512
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenedisulfonic acid, 3-[2-[3,3'-dimethyl-4'-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2)
- IUPAC
- disodium;3-[[4-[4-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- 영어명
- 3-[[3,3'-Dimethyl-4'-[[4-[(phenylsulfonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid disodium salt
- 분자식
- C36H29N4NaO10S3
- 분자량
- 796.82
이름 및 동의어
71701-30-92,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[4-[(phenylsulfonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt2,7-Naphthalenedisulfonic acid, 3-((3,3'-dimethyl-4'-((4-((phenylsulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, disodium salt2,7-Naphthalenedisulfonic acid, 3-(2-(3,3'-dimethyl-4'-(2-(4-((phenylsulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:2)2,7-Naphthalenedisulfonic acid, 3-[2-[3,3'-dimethyl-4'-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2)RefChem:446038DTXSID7072410RRTZJYZOMDSVTJ-LESKEBIISA-LDisodium 3-{[4'-({4-[(benzenesulfonyl)oxy]phenyl}diazenyl)-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonate3-[[3,3'-Dimethyl-4'-[[4-[(phenylsulfonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid disodium salt
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 253 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,590
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[4-[(phenylsulfonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt (71701-30-9)
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 Information2,7-Naphthalenedisulfonic acid, 3-[2-[3,3'-dimethyl-4'-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2): INACTIVE
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