기본 정보
- CAS
6505-29-9- 표준 SMILES
COc1cc(-c2ccc(N=NC3C(=O)N(c4ccccc4)N=C3C)c(OC)c2)ccc1N=NC1C(=O)N(c2ccccc2)N=C1C- InChIKey
ROBHRZYBQRKAQY-UHFFFAOYSA-N- 분자식
- C34H30N8O4
- 평균 분자량
- 614.7 g/mol
- 단동위원소 질량
- 614.23900147
이름 및 식별자
- 우선 이름
- 3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-
- IUPAC
- 4-[[2-methoxy-4-[3-methoxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
- 영어명
- 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one]
- 분자식
- C34H30N8O4
- 분자량
- 614.65
이름 및 동의어
3H-Pyrazol-3-one, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(2,4-dihydro-5-methyl-2-phenyl-3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-RefChem:505792EINECS 229-389-76505-29-94-[[2-methoxy-4-[3-methoxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-oneSCHEMBL9451197SCHEMBL29355605DTXSID50884317ROBHRZYBQRKAQY-UHFFFAOYSA-N3H-Pyrazol-3-one, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(2,4-dihydro-5-methyl-2-phenyl-NS00046613
이름 더 보기
C.I.21200Pigment Red 41Dianisidine RedC.I.Pigment Red 413h-pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[24,4'-Bis(4,5-dihydro-1-phenyl-3-methyl-5-oxo-1H-pyrazol-4-ylazo)-3,3'-dimethoxybiphenyl4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one]
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,120
물리화학적 성질
- 끓는 점
- 829.2 · 829.2±65.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.62 · 1.62±0.70(Predicted)
- EPA
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl- (6505-29-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: 3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-
3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[2,4- dihydro-5-methyl-2-phenyl: Non hazardous
Other Safety InformationIMAP assessments - Selected benzidine-congener-based pigments: Human health tier II assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2002-3-2162
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[2,4-dihydro-5-methyl-2-phenyl-: ACTIVE
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