基本信息
- 标准SMILES
O=C1c2ccccc2C(=O)c2c(Nc3nc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(-c4ccccc4)n3)cccc21- InChIKey
MVIFQPPFCHUSIH-UHFFFAOYSA-N- 分子式
- C37H21N5O4
- 平均分子量
- 599.6 g/mol
- 单同位素质量
- 599.15935415
名称与标识
- 首选名称
- Pigment Yellow 147
- IUPAC
- 1-[[4-[(9,10-dioxoanthracen-1-yl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
名称与别名
展开更多名称
数据库标识
- CAS
4118-16-5、76168-75-7- PubChem CID
- 77767
- DTXSID
DTXSID6052083- UNII
- LQ3G1P1NFN
- EC Number
- 223-912-2、616-297-0
- Nikkaji
- J224.924C
性质
结构计算性质
- XLogP
- 8.4
- 极性表面积
- 131 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 5
- 重原子
- 46
- 形式电荷
- 0
- 复杂度
- 1,110
实验与物化性质
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2202 of 2202) of all reports.
Not Classified
Aggregated GHS information provided per 2202 reports by companies from 2 notifications to the ECHA C&L Inventory.
危害信息
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis-
9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bisanthraquinone (EC: 223-912-2)
9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis-: Does not have an individual approval but may be used under an appropriate group standard
化学与工业
用途与制造
General Manufacturing Information
Printing Ink Manufacturing
9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis-: ACTIVE
相关反应
当前筛选下没有反应记录。
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