기본 정보
- CAS
6598-62-5- 표준 SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3cc(S(=O)(=O)[O-])c(-c4cc(C)c(N=Nc5cc(S(=O)(=O)[O-])c6ccccc6c5O)cc4S(=O)(=O)[O-])cc3C)cc2)cc1.[Na+].[Na+].[Na+]- InChIKey
VIIUOXGZDWUVCX-UHFFFAOYSA-K- 분자식
- C37H27N4Na3O13S4
- 평균 분자량
- 932.9 g/mol
- 단동위원소 질량
- 932.01505447
이름 및 식별자
- 우선 이름
- (1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-5,5'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-, sodium salt (1:3)
- IUPAC
- trisodium;4-hydroxy-3-[[2-methyl-4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-2-sulfonatophenyl]-5-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate
- 영어명
- trisodium 4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl-4'-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-2,2'-disulphonate
- 분자식
- C37H27N4Na3O13S4
- 분자량
- 932.85859
이름 및 동의어
6598-62-5EINECS 229-538-6[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-, trisodium salt(1,1'-Biphenyl)-2,2'-disulfonic acid, 4-((1-hydroxy-4-sulfo-2-naphthalenyl)azo)-5,5'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-, trisodium salt(1,1'-Biphenyl)-2,2'-disulfonic acid, 4-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-5,5'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-, sodium salt (1:3)[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]-, sodium salt (1:3)RefChem:391040Trisodium;4-hydroxy-3-[[2-methyl-4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-2-sulfonatophenyl]-5-sulfonatophenyl]diazenyl]naphthalene-1-sulfonateDTXSID5064415SCHEMBL29438052YKOVSHFXXNLZQW-WEPZXWFSSA-KNS00047560
물성
구조 계산 물성
- 극성 표면적
- 318 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,870
물리화학적 성질
- EPA
- 1 · [1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-5,5'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-, trisodium salt (6598-62-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-06745
화학 및 산업
용도 및 제조
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-5,5'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]-, sodium salt (1:3): ACTIVE
제조 방법
5-Amino-2-(4-amino-5-methyl-2-sulfophenyl)-4-methylbenzenesulfonic double nitriding, respectively with phenol and 4-Hydroxynaphthalene-1-sulfonic acid coupling, then use 4-Methylbenzene-1-sulfonyl chloride will of phenol of hydroxyl vinegar.
상·하류 제품 정보
상류 원료
공급사1 곳
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