기본 정보
- CAS
72152-65-9- 표준 SMILES
Cc1ccc2nc(-c3ccc(N=Nc4cc(N=Nc5cc(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])c(N=Nc7ccc(N=Nc8ccc(S(=O)(=O)[O-])cc8)c(S(=O)(=O)[O-])c7)c(O)c56)c(O)cc4O)cc3S(=O)(=O)[O-])sc2c1.[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
NLKWMNQDZZJOEB-UHFFFAOYSA-I- 분자식
- C42H24N9Na5O18S6
- 평균 분자량
- 1,250 g/mol
- 단동위원소 질량
- 1,248.9052034
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate
- IUPAC
- pentasodium;5-[[2,4-dihydroxy-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[3-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
- 영어명
- pentasodium 5-[[2,4-dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate
- 분자식
- C42H30N9NaO18S6
- 분자량
- 1164.1
이름 및 동의어
72152-65-9DTXSID701340604EINECS 276-417-9Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonateNS000619732,7-Naphthalenedisulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(3-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:5)5-[2-[2,4-Dihydroxy-5-[2-[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[3-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid sodium (1:5)2,7-naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulfo-4-[(4-sulfophenyl)azo]5-[[2,4-Dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2,7-naphthalenedisulfonic acid pentasodium salt
물성
구조 계산 물성
- 극성 표면적
- 529 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 28
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 80
- 형식 전하
- 0
- 복잡도
- 2,640
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-, pentasodium salt (72152-65-9)
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, 5-[2-[2,4-dihydroxy-5-[2-[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[3-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:5): INACTIVE
관련 반응
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