化工社化工社 化学情報印刷レポート · 研究参考用
1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester
Einecs 271-176-6 · C.I. Pigment Yellow 155 · N,N'-p-Phenylenebis(2-(2,5-dicarbomethoxyphenyl)azo)acetoacetamide · Tetramethyl 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bisterephthalate · 1,4-Benzenedicarboxylic acid, 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis-, 1,1',4,4'-tetramethyl ester
![1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester の分子構造式](/img/chemical/109448.png)
識別子と物理属性
| CAS No. | 247909-27-9 |
|---|---|
| 分子式 | C34H32N6O12 |
| 平均分子量 | 716.6 g/mol |
| 単同位体質量 | 716.20782048 g/mol |
| SMILES | COC(=O)c1ccc(C(=O)OC)c(N=NC(C(C)=O)C(=O)Nc2ccc(NC(=O)C(N=Nc3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1 |
| InChIKey | BZKXDIAAIOXKAH-UHFFFAOYSA-N |
| PubChem CID | 109448 |
| EC No. | 271-176-6 |
| DTXSID | DTXSID20867657 |
化学・物理的性質
| XLogP | 4.6 |
|---|---|
| 極性表面積 | 247 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 16 |
| 回転可能結合数 | 18 |
| 重原子数 | 52 |
| 形式電荷 | 0 |
| 複雑度 | 1,310 |
| Polymers | Plastics -> Pigments agentsPlastics -> Polyolefin-IPURPolyolefin-IIPVC (soft)PVC (rigid)PETPMMA(E)PS |
| Physical Description | Dry PowderCBILiquid |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 99.7% (312 of 313) of all reports.Not ClassifiedAggregated GHS information provided per 313 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester 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: Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate (EC: 271-176-6)1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis-, tetramethyl ester: 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. |
| その他の安全情報 | IMAP assessments - 1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |