化工社化工社 化学情報印刷レポート · 研究参考用
C.I.バットオレンジ11:1
ジナフト[2,3-i:2',3'-i']ベンゾ[1,2-a:4,5-a']ジカルバゾール-5,7,12,17,19,24(6H,18H)-ヘキサオン · バットオレンジ11:1 · バットオレンジ11 · バットイエロー3R · C.I.バットオレンジ11 · インダントレンイエロー3R · インダントレンイエロー3RT · C.I.バットオレンジ11:1
識別子と物理属性
| CAS No. | 2172-33-0 |
|---|---|
| 分子式 | C42H18N2O6 |
| 平均分子量 | 646.6 g/mol |
| 単同位体質量 | 646.1164863 g/mol |
| SMILES | O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(=O)c5c(ccc6c7ccc8c(=O)c9ccccc9c(=O)c8c7[nH]c65)c(=O)c4c3[nH]c12 |
| InChIKey | CVWSULASWLZVCH-UHFFFAOYSA-N |
| PubChem CID | 75113 |
| EC No. | 218-524-5 |
| DTXSID | DTXSID8062232 |
| 現地名 | C.I.バットオレンジ11:1 |
化学・物理的性質
| XLogP | 7.7 |
|---|---|
| 極性表面積 | 134 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 0 |
| 重原子数 | 50 |
| 形式電荷 | 0 |
| 複雑度 | 1,460 |
| 密度 | 1.651 |
| pKa（酸解離定数） | 11.90±0.20(Predicted) |
| 溶解度 | 1μg/L at 20℃ |
| EPAの化学物質情報 | Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone (2172-33-0) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 68.2% (15 of 22) of all reports.WarningH317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone, 6,18-dihydro-REACH registered substance: 6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone (EC: 218-524-5)Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone: 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 | Skin Sens. 1B (31.8%) |
| TSCA 収載状態 | TSCA listed |
製法・合成法
製造方法
1,5-Diaminoanthraquinoneand 1-Bromoanthracene-9,10-dione or 1-Chloroanthraquinone(2 Moore) condensation, product Potassium hydroxide with Aluminium chloride or cyclization, with Potassium permanganate again or Sodium hypochlorite oxidation.