基本情報
- CAS
6883-91-6- 標準SMILES
COc1cc(-c2ccc(N=NC3C(=O)N(c4ccc(C)cc4)N=C3C)c(OC)c2)ccc1N=NC1C(=O)N(c2ccc(C)cc2)N=C1C- InChIKey
CMBVJWXIWKNGIL-UHFFFAOYSA-N- 分子式
- C36H34N8O4
- 平均分子量
- 642.7 g/mol
- 単同位体質量
- 642.2703016
名称と識別子
- 優先名称
- 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-(4-methylphenyl)-
- IUPAC
- 4-[[2-methoxy-4-[3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
- 現地名
- 4,4'-[(3,3'-ジメトキシ-1,1'-ビフェニル-4,4'-ジイル)ビス(アゾ)]ビス[2,4-ジヒドロ-5-メチル-2-(4-メチルフェニル)-3H-ピラゾール-3-オン]
- 英語名
- 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one]
- 分子式
- C36H34N8O4
- 分子量
- 642.70636
名称と別名
4,4'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one)DTXSID808639583H-Pyrazol-3-one, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(2,4-dihydro-5-methyl-2-(4-methylphenyl)-3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(p-tolyl)-3H-pyrazol-3-one]RefChem:505794DTXCID208125266883-91-6EINECS 229-986-2UNII-8I68425WMX
名称をさらに表示
C.I.ピグメントレッド374,4'-[(3,3'-ジメトキシ-1,1'-ビフェニル-4,4'-ジイル)ビス(アゾ)]ビス[2,4-ジヒドロ-5-メチル-2-(4-メチルフェニル)-3H-ピラゾール-3-オン]
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 133 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 9
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,170
物理化学的性質
- 沸点
- 855.3 · 855.3±65.0 °C(Predicted)
- 比重(密度)
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.62 · 1.62±0.70(Predicted)
- EPAの化学物質情報
- 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-(4-methylphenyl)- (6883-91-6)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS ClassificationNot Classified
危険有害性情報
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-(4-methylphenyl)-
3H-Pyrazol-3-one, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Selected benzidine-congener-based pigments: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
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-(4-methylphenyl)-: INACTIVE
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Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
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