基本情報
- 標準SMILES
O=C1c2ccccc2C2=Nc3cccc4cccc(c34)N12- InChIKey
XFYQEBBUVNLYBR-UHFFFAOYSA-N- 分子式
- C18H10N2O
- 平均分子量
- 270.3 g/mol
- 単同位体質量
- 270.07931294
名称と識別子
- 優先名称
- Solvent Orange 60
- IUPAC
- 2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaen-3-one
- 英語名
- SOLVENT ORANGE 60
- 分子式
- C18H10N2O
- 分子量
- 270.2848
名称と別名
名称をさらに表示
データベース識別子
- CAS
61725-13-1、61969-47-9、6925-69-5- PubChem CID
- 81344
- DTXSID
DTXSID4064507- UNII
- 9P2ZLV19F4
- EC Number
- 230-049-5、612-336-0、612-926-8
- Nikkaji
- J265.965D
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 32.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 499
物理化学的性質
- InChI
- InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H
- InChIKey
- XFYQEBBUVNLYBR-UHFFFAOYSA-N
- SMILES
- O=C1C2=C([H])C([H])=C([H])C([H])=C2C2=NC3=C([H])C([H])=C([H])C4C([H])=C([H])C([H])=C(C3=4)N21
化学的性質
化学的特性yellow orange. Orange powder. Insoluble in water, slightly soluble in ethanol, Chloroform, benzene, toluene, xylene and organic solvent.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 98% (2229 of 2274) of all reports.
Not Classified
Aggregated GHS information provided per 2274 reports by companies from 6 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 12H-Phthaloperin-12-one
REACH registered substance: 12H-phthaloperin-12-one (EC: 230-049-5)
12H-Phthaloperin-12-one: Does not have an individual approval but may be used under an appropriate group standard
化学と産業
用途と製造
応用分野
使用Solvent Orange (SO) 60 is a perinone-type dye that is often used in plastic materials such as spectacle frames and has been shown to cause contact allergy. Mainly used for polystyrene, ABS resin coloring.
調製方法
製造方法A preparation method for solvent orange 60, belonging to chemical industry field, manufactured by: mixing phthalic anhydride and 1, 8- naphthylenediamine with the mass ratio of 1:1 with 1-5% by mass of hydrochloric acid solution, polar organic solvent miscible with water and non-ionic active catalyst, stirring and heating to the refluxing state for reacting 8-15 hours, filtering, washing the filter cake with water till the pH value of the filtrate is neutral, drying to obtain the solvent orange 60, wherein the dosage of the hydrochloric acid solution is 10-20 times of the 1, 8- naphthylenediamine; the dosage of the polar organic solvent is 1-50% of the total amount of the reaction medium and the dosage of the catalyst is 0.01-2% of the total amount of the reaction medium. The method combines the advantages of good quality and low cost of water phase method.
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