3,6-Bis(2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid
기본 정보
- CAS
14918-39-9- 표준 SMILES
Cc1c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4c(C)n(C)n(-c5ccccc5)c4=O)c(O)c3c2O)c(=O)n(-c2ccccc2)n1C- InChIKey
SZVOKPKIXYMQHL-UHFFFAOYSA-N- 분자식
- C32H28N8O10S2
- 평균 분자량
- 748.7 g/mol
- 단동위원소 질량
- 748.13698147
이름 및 식별자
- 우선 이름
- 3,6-Bis(2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 3,6-bis[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
- 영어명
- ANTIPYRYLAZO III
- 분자식
- C32H28N8O10S2
- 분자량
- 748.74
이름 및 동의어
14918-39-9DTXSID9011047313,6-Bis(2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid3,6-Bis[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4,5-dihydroxy-2,7-naphthalenedisulfonic acidRefChem:1066069DTXCID001536408Antipyrylazo IIIH378L7UI143,6-bis[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acidDIANTIPYRYLAZOANTIPYRINE SUNII-H378L7UI14
이름 더 보기
3,6-BIS[4-ANTIPYRYLAZO]-4,5-DIHYDROXY-2,7-NAPHTHALENEDISULFONIC ACID DISODIUM SALTAntipyrylazo III 3,6-Bis[4-antipyrylazo]-4,5-dihydroxy-2,7-naphthalenedisulfonic acid disodium salt(3E,6E)-3,6-bis[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid3,6-Bis((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)azo)-4,5-dihydroxynaphthalene-2,7-disulphonic acid3,6-bis[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 263 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,640
물리화학적 성질
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.2 · -1.20±0.40(Predicted)
- InChIKey
- SZVOKPKIXYMQHL-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(O)=C(N=NC3=C(C)N(C)N(C4=CC=CC=C4)C3=O)C(S(O)(=O)=O)=C2)=C(O)C(N=NC2=C(C)N(C)N(C3=CC=CC=C3)C2=O)=C1S(O)(=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- safety_code
- 22-24/25
관련 반응
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