Cobaltate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen
基本情報
- CAS
55668-56-9- 標準SMILES
Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc([N+](=O)[O-])ccc1[O-].O=C1C=C(N([O-])[O-])C=CC1=NN=C1C(=O)C=Cc2ccccc21.[Co+3].[H+]- InChIKey
PRUZTGFHEUUEMK-UHFFFAOYSA-M- 分子式
- C32H20CoN8O8.H
- 平均分子量
- 704.5 g/mol
- 単同位体質量
- 704.081428
名称と識別子
- 優先名称
- Cobaltate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen
- IUPAC
- cobalt(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
名称と別名
RefChem:578018DTXCID301770001Cobaltate(1-), (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(1-((2-hydroxy-4-nitrophenyl)azo)-2-naphthalenolato(2-))-, hydrogenCobaltate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogenDTXSID70134101455668-56-9EINECS 259-746-2Cobaltate(1-), (2,4-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(1-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-2-naphthalenolato(2-)-kappaO)-, hydrogenCobaltate(1-), (2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(1-((2-hydroxy-4-nitrophenyl)azo)-2-naphthalenolato)-, hydrogenCobaltate(1-), (2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)(1-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)-, hydrogen (1:1)Cobaltate(1-), [2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][1-[[2-(hydroxy-.kappa.O)-4-nitrophenyl]azo-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O]-, hydrogen
物性
構造計算による物性
- 極性表面積
- 243 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 14
- 回転可能結合数
- 4
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,180
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。
危険有害性情報
Regulatory InformationChemical: Cobaltate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen
Other Safety InformationIMAP assessments - Cobaltate(1-), [2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen: Human health tier I assessment
化学と産業
用途と製造
General Manufacturing Information
Cobaltate(1-), [2,4-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-nitrophenyl]diazenyl-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][1-[2-[2-(hydroxy-.kappa.O)-4-nitrophenyl]diazenyl-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O]-, hydrogen (1:1): INACTIVE
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