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7，16-ジクロロ-6，15-ジヒドロジナフト［2，3-a：2’，3’-h］フェナジン-5，9，14，18-テトラオン
7，16-ジクロロ-6，15-ジヒドロジナフト［2，3-a：2’，3’-h］フェナジン-5，9，14，18-テトラオン · バットブルー6 · ジクロロインダントロン · DandCブルーNo.9 · 6,15-ジヒドロ-7,16-ジクロロアントラジン-5,9,14,18-テトラオン · C.I.ピグメントブルー64 · 青色204号 · 15,30-ジクロロ-2,17-ジアザヘプタシクロ[16.12.0.03,16.04,13.06,11.019,28.021,26]トリアコンタ-1(30),3,6,8,10,13,15,18,21,23,25,28-ドデカエン-5,12,20,27-テトラオン
識別子と物理属性
| CAS No. | 130-20-1 |
|---|---|
| 分子式 | C28H12Cl2N2O4 |
| 平均分子量 | 511.3 g/mol |
| 単同位体質量 | 510.01741222 g/mol |
| SMILES | O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 |
| InChIKey | UGCDBQWJXSAYIL-UHFFFAOYSA-N |
| PubChem CID | 8532 |
| ChEMBL | CHEMBL2001164 |
| EC No. | 204-980-2 |
| DTXSID | DTXSID9044532 |
| 現地名 | 7，16-ジクロロ-6，15-ジヒドロジナフト［2，3-a：2’，3’-h］フェナジン-5，9，14，18-テトラオン |
化学・物理的性質
| XLogP | 6.1 |
|---|---|
| 極性表面積 | 92.3 |
| 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 | 36 |
| 形式電荷 | 0 |
| 複雑度 | 926 |
| 物質分類 | Dyes -> Anthraquinone Dyes |
| 化粧品 | Cosmetic colorant |
| 食品添加物 | Drugs, Devices -> FDA Regulatory Status of Color AdditivesDevices -> FDA Regulatory Status of Color Additives |
| 溶解度 | ANTHRAQUINONES EXTREMELY INSOL IN WATER & INSOL IN COMMON SOLVENTS /PIGMENTS/ |
| Physical Description | Dry PowderSolid[MSDSonline] |
| 沸点 | 788.5±60.0 °C(Predicted) |
| 密度 | 1.4366 (rough estimate) |
| 屈折率 | 1.7460 (estimate) |
| 貯蔵条件 | 2-8°C(protect from light) |
| pKa（酸解離定数） | -4.66±0.20(Predicted) |
| 化粧品成分の機能 | 着色剤 |
| LogP（分配係数） | 9 at 20℃ |
| CAS データベース | 130-20-1 |
| NISTの化学物質情報 | c.i. Vat blue 6(130-20-1) |
| EPAの化学物質情報 | C.I. Vat Blue 6 (130-20-1) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (34 of 34) of all reports.Not ClassifiedAggregated GHS information provided per 34 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro- 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: 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone (EC: 204-980-2)5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-: 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. |
| 有害性の概要 | Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and comaDeaths have been reported after children ingested Rhamnus berries[HSDB] May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| 有害作用 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| TSCA 収載状態 | TSCA listed |
| 有害物質データ | 130-20-1(Hazardous Substances Data) |
用途
使用
C.I.Var Blue 6 (CAS# 130-20-1) is a vat dye used for cotton fabrics dyeing. Materials dyed with C.I.Var Blue 6 have enhanced adsorption of metals and nanoparticles, useful for the preparation of materials for wastewater cleanup.