기본 정보
- CAS
68227-36-1- 표준 SMILES
COc1ccccc1N=Nc1cc(C)c(N=Nc2cc(N=Nc3ccc(N=Nc4ccc(C)cc4C)cc3OC)c(O)cc2O)cc1C- InChIKey
KAEGQYSQPVJPSX-UHFFFAOYSA-N- 분자식
- C36H34N8O4
- 평균 분자량
- 642.7 g/mol
- 단동위원소 질량
- 642.2703016
이름 및 식별자
- 우선 이름
- 4-(2-(4-(2-(2,4-Dimethylphenyl)diazenyl)-2-methoxyphenyl)diazenyl)-6-(2-(4-(2-(2-methoxyphenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-1,3-benzenediol
- IUPAC
- 4-[[4-[(2,4-dimethylphenyl)diazenyl]-2-methoxyphenyl]diazenyl]-6-[[4-[(2-methoxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,3-diol
- 영어명
- 4-[[4-[(2,4-Dimethylphenyl)azo]-2-methoxyphenyl]azo]-6-[[4-[(2-methoxyphenyl)azo]-2,5-dimethylphenyl]azo]-1,3-benzenediol
- 분자식
- C36H34N8O4
- 분자량
- 642.71
이름 및 동의어
68227-36-14-(2-(4-(2-(2,4-Dimethylphenyl)diazenyl)-2-methoxyphenyl)diazenyl)-6-(2-(4-(2-(2-methoxyphenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-1,3-benzenediol4-[2-[4-[2-(2,4-Dimethylphenyl)diazenyl]-2-methoxyphenyl]diazenyl]-6-[2-[4-[2-(2-methoxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-1,3-benzenediolRefChem:2869971,3-Benzenediol, 4-[[4-[(2,4-dimethylphenyl)azo]-2-methoxyphenyl]azo]-6-[[4-[(2-methoxyphenyl)azo]-2,5-dimethylphenyl]azo]-1,3-Benzenediol, 4-((4-((2,4-dimethylphenyl)azo)-2-methoxyphenyl)azo)-6-((4-((2-methoxyphenyl)azo)-2,5-dimethylphenyl)azo)-DTXSID2071283KAEGQYSQPVJPSX-UHFFFAOYSA-N1,3-Benzenediol, 4-(2-(4-(2-(2,4-dimethylphenyl)diazenyl)-2-methoxyphenyl)diazenyl)-6-(2-(4-(2-(2-methoxyphenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-4-({4-[(2,4-Dimethylphenyl)diazenyl]-2-methoxyphenyl}diazenyl)-6-({4-[(2-methoxyphenyl)diazenyl]-2,5-dimethylphenyl}diazenyl)benzene-1,3-diol4-[[4-[(2,4-Dimethylphenyl)azo]-2-methoxyphenyl]azo]-6-[[4-[(2-methoxyphenyl)azo]-2,5-dimethylphenyl]azo]-1,3-benzenediol
물성
구조 계산 물성
- XLogP
- 9.7
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 끓는 점
- 837.1 · 837.1±65.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.93 · 6.93±0.50(Predicted)
- EPA
- 1 · 1,3-Benzenediol, 4-[[4-[(2,4-dimethylphenyl)azo]-2-methoxyphenyl]azo]-6-[[4-[(2-methoxyphenyl)azo]-2,5-dimethylphenyl]azo]- (68227-36-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1,3-Benzenediol, 4-[2-[4-[2-(2,4-dimethylphenyl)diazenyl]-2-methoxyphenyl]diazenyl]-6-[2-[4-[2-(2-methoxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-: INACTIVE
관련 반응
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