기본 정보
- CAS
85940-63-2- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc2c(S(=O)(=O)[O-])cccc2c1S(=O)(=O)O.[K+].[Na+]- InChIKey
FOJPEQLTUMBFRW-UDTFEKBMSA-H- 분자식
- C22H18KN4NaO13S4
- 평균 분자량
- 736.8 g/mol
- 단동위원소 질량
- 735.9287971
이름 및 식별자
- 우선 이름
- 1,5-naphthalenedisulfonic acid, 2-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1h-pyrazol-4-yl)azo)-, potassium sodium salt
- IUPAC
- potassium;sodium;6-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]-5-sulfonaphthalene-1-sulfonate
- 영어명
- 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonic acid, potassium sodium salt
- 분자식
- C44H34K3N8Na3O26S8
- 분자량
- 1533.56297
이름 및 동의어
1,5-Naphthalenedisulfonic acid, 2-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-, potassium sodium salt1,5-Naphthalenedisulfonic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]azo]-, potassium sodium salt2-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)naphthalene-1,5-disulphonic acid, potassium sodium salt2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonic acid, potassium sodium saltRefChem:4173241,5-Naphthalenedisulfonic acid, 2-4,5-dihydro-3-methyl-5-oxo-1-4-2-(sulfooxy)ethylsulfonylphenyl-1H-pyrazol-4-ylazo-, potassium sodium salt288-950-485940-63-2DTXSID60905002EINECS 288-950-41,5-Naphthalenedisulfonic acid, 2-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-, potassium sodium salt (1:?:?)2-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)naphthalene-1,5-disulphonic acid, potassium sodium
물성
구조 계산 물성
- 극성 표면적
- 303 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,520
물리화학적 성질
- 수용성
- 299 g/L · 299g/L at 20℃
- EPA
- 1 · 1,5-Naphthalenedisulfonic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]azo]-, potassium sodium salt (85940-63-2)
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 > 99.9% (2015 of 2016) of all reports.
Not Classified
Aggregated GHS information provided per 2016 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,5-Naphthalenedisulfonic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]azo]-, potassium sodium salt
REACH registered substance: 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonic acid, potassium sodium salt (EC: 288-950-4)
1,5-Naphthalenedisulfonic acid, 2-4,5-dihydro-3-methyl-5-oxo-1-4-2-(sulfooxy)ethylsulfonylphenyl-1H-pyrazol-4-ylazo-, potassium sodium 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 - 1,5-Naphthalenedisulfonic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]azo]-, potassium sodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 2-[2-[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]diazenyl]-, potassium sodium salt (1:?:?): ACTIVE
공급사1 곳
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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