기본 정보
- CAS
59641-46-2- 표준 SMILES
COc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)O)c5)n4)ccc3c2O)c(S(=O)(=O)O)c1- InChIKey
SYUMGWWSOBXIMP-UHFFFAOYSA-N- 분자식
- C26H20ClN7O11S3
- 평균 분자량
- 738.1 g/mol
- 단동위원소 질량
- 737.0071457
이름 및 식별자
- 우선 이름
- 2-Naphthalenesulfonic acid, 7-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-
- IUPAC
- 7-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
- 영어명
- 7-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid
- 분자식
- C26H20ClN7O11S3
- 분자량
- 738.13
이름 및 동의어
EINECS 261-833-5DTXSID608667652-Naphthalenesulfonic acid, 7-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulfophenyl)azo)-2-Naphthalenesulfonic acid, 7-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methoxy-2-sulfophenyl)diazenyl)-2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-RefChem:476939DTXCID8081501859641-46-27-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-methoxy-2-sulphophenyl)azo)naphthalene-2-sulphonic acidSYUMGWWSOBXIMP-UHFFFAOYSA-NNS00088454
이름 더 보기
7-[[4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-2-naphthalenesulfonic acid
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 305 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,460
물리화학적 성질
- 밀도
- 1.822 · 1.822±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -0.563 · -0.563±0.40(predicted)
- EPA
- 2 · 2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]- (59641-46-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(4-methoxy-2-sulfophenyl)diazenyl]-: INACTIVE
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