기본 정보
- CAS
72639-36-2- 표준 SMILES
Cc1nc(S(C)(=O)=O)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4ccccc4S(=O)(=O)[O-])c(O)c23)c1Cl.[K+].[K+].[Na+]- InChIKey
NMBBANXIAHXMML-IKNCFTKNSA-H- 분자식
- C22H15ClK2N5NaO12S4
- 평균 분자량
- 806.3 g/mol
- 단동위원소 질량
- 804.8460406
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt
- IUPAC
- dipotassium;sodium;5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
- 영어명
- 5-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid, potassium sodium salt
- 분자식
- C44H30Cl2K3N10Na3O24S8
- 분자량
- 1596.45181
이름 및 동의어
EINECS 276-754-172639-36-22,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)4-((5-Chloro-4-methyl-2-(methylsulfonyl)-6-pyrimidyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid, sodium, potassium saltNS001212845-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt5-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid, potassium sodium salt2,7-Naphthalenedisulfonicacid,5-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-,potassium sodium salt (1:?:?)
데이터베이스 식별자
- CAS
72639-36-2- PubChem CID
- 175103
- EC Number
- 276-754-1
물성
구조 계산 물성
- 극성 표면적
- 322 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,470
물리화학적 성질
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, potassium sodium salt (72639-36-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
공급사1 곳
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