1,5-ジアミノアントラキノン
1,5-ジアミノアントラキノン · 1,5-ジアミノアントラセン-9,10-ジオン · 1,5-ジアミノアントラキノン, 97% · 1,5-diaminoanthracene-9,10-dione · 92.0%(N) · smokeredf · TIMTEC-BB SBB000769 · 1,5-DIAMINOATHRAQUINONE
識別子と物理属性
| CAS No. | 129-44-2 |
|---|---|
| 分子式 | C14H10N2O2 |
| 平均分子量 | 238.24 g/mol |
| 単同位体質量 | 238.07422757 g/mol |
| SMILES | Nc1cccc2c1C(=O)c1cccc(N)c1C2=O |
| InChIKey | VWBVCOPVKXNMMZ-UHFFFAOYSA-N |
| PubChem CID | 8513 |
| ChEMBL | CHEMBL90387 |
| EC No. | 204-947-2 |
| DTXSID | DTXSID1059602 |
| 現地名 | 1,5-ジアミノアントラキノン |
化学・物理的性質
| XLogP | 2.6 |
|---|---|
| 極性表面積 | 86.2 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 0 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 346 |
| Physical Description | Red odorless powder[Alfa Aesar MSDS] |
| 融点 | >300 °C (lit.) |
| 沸点 | 380.84°C (rough estimate) |
| 密度 | 1.1907 (rough estimate) |
| 屈折率 | 1.6500 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystaline |
| pKa（酸解離定数） | -0.66±0.20(Predicted) |
| 色 | Orange to Brown to Dark red |
| 溶解度 | 水に不溶。 |
| InChI | InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2 |
| InChIKey | VWBVCOPVKXNMMZ-UHFFFAOYSA-N |
| SMILES | C1(N)=C2C(C(=O)C3=C(C2=O)C=CC=C3N)=CC=C1 |
| CAS データベース | 129-44-2(CAS DataBase Reference) |
| EPAの化学物質情報 | 9,10-Anthracenedione, 1,5-diamino- (129-44-2) |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: 9,10-Anthracenedione, 1,5-diamino- |
| 有害性の概要 | A mild eye irritantCauses liver, cardiac, and renal tubular changes in 10-day oral studies of rats[RTECS] May cause eye irritation[Alfa Aesar MSDS] See 1-Amino-2-methylanthraquinone. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | CB6400000 |
| 税関コード | 29147000 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (4)-710 |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
1,5-Diaminoanthraquinone (DAAQ) may be used in the preparation of vertical nanowire arrays. It may be used in the synthesis of poly(1,5-diaminoanthraquinone) (PDAA) particles, via chemically oxidative polymerization of DAAQ.
一般的な説明
1,5-Diaminoanthraquinone (DAAQ) is an organic dye compound. Rapid preparation of 1,5-diaminoanthraquinone nanofibers (DAAQNFs) decorated with small platinum nanoparticles (PtNPs) has been reported. The absorption and fluorescence spectra of DAAQ has been investigated in various organic solvents. Preparation of vertical organic nanowire arrays of DAAQ on solid substrates by a facile physical vapor transport method has been reported.
製法・合成法
純化方法
Recrystallise it from aniline (m 313-314o) EtOH or acetic acid [Flom & Barbara J Phys Chem 89 4481 1985]. [Beilstein 14 H 303, 14 I 467, 14 II 116, 14 III 466, 14 IV 479.]