化工社化工社 化学情報印刷レポート · 研究参考用
1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)-
Yellow E-3G · disperse Yellow S-3G · C.I.Disperse Yellow 64 · C.I.Disperse Yellow 64:C.I.47023 · Disperse Yellow 3G ISO 9001：2015 REACH
識別子と物理属性
| CAS No. | 10319-14-9 |
|---|---|
| 分子式 | C18H10BrNO3 |
| 平均分子量 | 368.2 g/mol |
| 単同位体質量 | 366.98441 g/mol |
| SMILES | O=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O |
| InChIKey | DVBLPJWQXDCAKU-UHFFFAOYSA-N |
| PubChem CID | 25152 |
| ChEMBL | CHEMBL3185278 |
| EC No. | 233-701-7 |
| DTXSID | DTXSID2044503 |
化学・物理的性質
| XLogP | 3.7 |
|---|---|
| 極性表面積 | 67.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 1 |
| 重原子数 | 23 |
| 形式電荷 | 0 |
| 複雑度 | 486 |
| Collision Cross Section | 167.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2044503] |
| CAS データベース | 12223-86-8 |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 99.2% (2056 of 2072) of all reports.Not ClassifiedAggregated GHS information provided per 2072 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)-1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)- 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: 2-(4-bromo-3-hydroxy-2-quinolyl)-1H-indene-1,3(2H)-dione (EC: 233-701-7)1H-Indene-1,3(2H)-dione, 2-(4-bromo-3-hydroxy-2-quinolinyl)-: 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. |
| Hazard Classes and Categories | Not Classified |
製法・合成法
製造方法
4-Bromo-2-methylquinolin-3-ol and Phthalic anhydridecondensation.