Naphthalenesulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-8-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-, sodium salt (1:3)
기본 정보
- CAS
72496-92-5- 표준 SMILES
O=[N+]([O-])c1ccc(Nc2ccc(N=Nc3cc(N=Nc4ccc(N=Nc5ccc(Nc6ccc([N+](=O)[O-])cc6S(=O)(=O)[O-])cc5)c5c(S(=O)(=O)[O-])cccc45)c(O)cc3O)cc2)c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+]- InChIKey
VEDGYUBAJVJFKL-UHFFFAOYSA-K- 분자식
- C40H25N10Na3O15S3
- 평균 분자량
- 1,050.9 g/mol
- 단동위원소 질량
- 1,050.0356065
이름 및 식별자
- 우선 이름
- Naphthalenesulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-8-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-, sodium salt (1:3)
- IUPAC
- trisodium;5-[[2,4-dihydroxy-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]phenyl]diazenyl]-8-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-1-sulfonate
- 영어명
- trisodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate
- 분자식
- C40H25N10Na3O15S3
- 분자량
- 1050.84881
이름 및 동의어
72496-92-5DTXSID90890230EINECS 276-704-9Naphthalenesulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)phenyl)diazenyl)-8-(2-(4-((4-nitro-2-sulfophenyl)amino)phenyl)diazenyl)-, sodium salt (1:3)Naphthalenesulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-8-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-, sodium salt (1:3)RefChem:164625DTXCID4010791655-2,4-dihydroxy-5-4-(4-nitro-2-sulphonatophenyl)aminophenylazophenylazo-8-4-(4-nitro-2-sulphonatophenyl)amino phenylazonaphthalenesulphonate (sodium salt)Naphthalenesulfonic acid, 5-((2,4-dihydroxy-5-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)phenyl)azo)-8-((4-((4-nitro-2-sulfophenyl)amino)phenyl)azo)-, trisodium saltNaphthalenesulfonic acid, 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, trisodium salt
물성
구조 계산 물성
- 극성 표면적
- 427 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 71
- 형식 전하
- 0
- 복잡도
- 2,130
물리화학적 성질
- 밀도
- 1.627 · 1.627[at 20℃]
- 증기압
- 0 Pa · 0Pa at 25℃
- 수용성
- 500 g/L · 500g/L at 20℃
- LogP
- 0.3 at · 0.3 at 20℃
- EPA
- 5 · Naphthalenesulfonic acid, 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, trisodium salt (72496-92-5)
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 61.5% (16 of 26) of all reports.
Warning
H319 (38.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 26 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Naphthalenesulfonic acid, 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, trisodium salt
REACH registered substance: Trisodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate (EC: 276-704-9)
Naphthalenesulfonic acid, 5-2,4-dihydroxy-5-4-(4-nitro-2-sulfophenyl)aminophenylazophenylazo-8-4-(4-nitro-2-sulfophenyl)aminophenylazo-, trisodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Naphthalenesulfonic acid, 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, trisodium salt: Human health tier I assessment
Hazard Classes and CategoriesEye Irrit. 2 (38.5%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationNaphthalenesulfonic acid, 5-[2-[2,4-dihydroxy-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-8-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-, sodium salt (1:3): ACTIVE
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