基本情報
- CAS
12227-68-8- 標準SMILES
CC1=NN(c2ccccc2)C(=O)C1=NN=C1C=C(N([O-])[O-])C=C(S(=O)(=O)[O-])C1=O.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1[O-].[Cr+3].[H+].[H+].[H+]- InChIKey
UWONCBFTAQWRFD-UHFFFAOYSA-M- 分子式
- C32H20CrN10O14S2.3H
- 平均分子量
- 887.7 g/mol
- 単同位体質量
- 887.024168
名称と識別子
- 優先名称
- Trihydrogen bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]chromate(3-)
- IUPAC
- chromium(3+);3-(dioxidoamino)-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonate;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate
- 英語名
- Solvent Orange 56
- 分子式
- C16H13N5O7S
- 分子量
- 0
名称と別名
Trihydrogen bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))chromate(3-)Trihydrogen bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)]chromate(3-)RefChem:899654236-672-9SOLVENT ORANGE 5612227-68-813463-42-8Chromium(3+);3-(dioxidoamino)-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonate;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonateChromate(3-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))-, trihydrogenEINECS 236-672-9C.I.Solvent Orange 56DTXSID401014769
名称をさらに表示
C.I.Solvent Orange 56:C.I.18745:1Solvent Orange 56 ISO 9001：2015 REACH
FS41479Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, trihydrogenChromate(3-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, trihydrogenChromate(3-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, hydrogen (1:3)Chromium(3+) hydrogen 3-[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-id-4-yl)diazenyl]-5-nitro-2-oxidobenzene-1-sulfonate (1/3/2)
物性
構造計算による物性
- 極性表面積
- 389 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 21
- 回転可能結合数
- 5
- 重原子数
- 59
- 形式電荷
- 0
- 複雑度
- 705
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 Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationChemical: Chromate(3-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, hydrogen (1:3)
Other Safety InformationIMAP assessments - Chromate(3-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, hydrogen (1:3): Human health tier I assessment
Hazard Classes and CategoriesNot Classified
化学と産業
用途と製造
General Manufacturing InformationChromate(3-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, hydrogen (1:3): ACTIVE
調製方法
製造方法C.I. Solvent Orange 5 (by 3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid diazotization, with 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one coupling and then in the 130 ℃ in Chromium formate in aqueous solution, heating 3 hours, make it into Chromium complex and) into metal complex.
上流・下流製品情報
上流原料
サプライヤー9 社
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北中隆康盛精细化工有限公司
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