기본 정보
- CAS
6428-60-0- 표준 SMILES
O=S(=O)([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(Nc6ccccc6)ccc5c4O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
CTIIFDITHFRQBX-UHFFFAOYSA-J- 분자식
- C42H25N7Na4O13S4
- 평균 분자량
- 1,055.9 g/mol
- 단동위원소 질량
- 1,054.9983957
이름 및 식별자
- 우선 이름
- C.I. Direct Blue 75, tetrasodium salt
- IUPAC
- tetrasodium;7-anilino-4-hydroxy-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
- 현지명
- 2-나프탈렌술폰산,5-[[1-히드록시-6-(페닐아미노)-3-술포-2-나프탈레닐]아조]-8-[[6-술포-4-[(3-술포페닐)아조]-1-나프탈레닐]아조]-,나트륨염
- 영어명
- 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino) -3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3 -sulfophenyl)azo]-1-naphthalenyl]azo]-, sodium salt
- 분자식
- C42H29N7O13S4.xNa
- 분자량
- 0
이름 및 동의어
6428-60-0C.I. Direct Blue 75, tetrasodium saltC.I. Direct blue 75tetrasodium;7-anilino-4-hydroxy-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonateTetrasodium 5-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-8-[[6-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonateTetrasodium 5-((1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl)azo)-8-((6-sulphonato-4-((3-sulphonatophenyl)azo)naphthyl)azo)naphthalene-2-sulphonateSCHEMBL29407107DTXSID30889547EINECS 229-211-8DB-234042NS000472612-Naphthalenesulfonic acid, 5-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-8-((6-sulfo-4-((3-sulfophenyl)azo)-1-naphthalenyl)azo)-, tetrasodium salt
이름 더 보기
2-나프탈렌술폰산,5-[[1-히드록시-6-(페닐아미노)-3-술포-2-나프탈레닐]아조]-8-[[6-술포-4-[(3-술포페닐)아조]-1-나프탈레닐]아조]-,나트륨염2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino) -3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3 -sulfophenyl)azo]-1-naphthalenyl]azo]-, sodium salt
물성
구조 계산 물성
- 극성 표면적
- 369 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 2,170
물리화학적 성질
- EPA
- 2 · 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, sodium salt (72245-54-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, tetrasodium salt
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2-Naphthalenesulfonic acid, 5-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-8-[2-[6-sulfo-4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4): ACTIVE
관련 반응
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