기본 정보
- CAS
68959-04-6- 표준 SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)[O-])cc3)cc2C)cc1.[K+]- InChIKey
IVLZNARCQOGMCE-UHFFFAOYSA-M- 분자식
- C26H21KN4O8S2
- 평균 분자량
- 620.7 g/mol
- 단동위원소 질량
- 620.04378747
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 2-((4-(2-(3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-5-nitro-, potassium salt (1:1)
- IUPAC
- potassium 2-[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
이름 및 동의어
EINECS 273-390-568959-04-6DTXSID90887620Potassium 2-(4-((3-methyl-4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)anilino)-5-nitrobenzenesulphonateBenzenesulfonic acid, 2-((4-((3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monopotassium saltBenzenesulfonic acid, 2-((4-(2-(3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-5-nitro-, potassium salt (1:1)Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-5-nitro-, monopotassium saltBenzenesulfonic acid, 2-[[4-[2-[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]phenyl]amino]-5-nitro-, potassium salt (1:1)RefChem:117815DTXCID901026909Potassium 2-[4-({3-methyl-4-[(4-methylbenzene-1-sulfonyl)oxy]phenyl}diazenyl)anilino]-5-nitrobenzene-1-sulfonate
데이터베이스 식별자
- CAS
68959-04-6- PubChem CID
- 111939
- DTXSID
DTXSID90887620- EC Number
- 273-390-5
물성
구조 계산 물성
- 극성 표면적
- 200 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,070
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-5-nitro-, monopotassium salt
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-5-nitro-, monopotassium salt: Human health tier I assessment
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 2-[[4-[2-[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]phenyl]amino]-5-nitro-, potassium salt (1:1): INACTIVE
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