化工社化工社 化学情報印刷レポート · 研究参考用
2-クロロアントラキノン
2-クロロアントラキノン · 2-クロロ-9,10-アントラキノン · 2-クロロ-9,10-アントラセンジオン · 2クロロアントラキノン · 2-クロロアンスラキノン · 2-クロロアントラセン-9,10-ジオン · 2-CHLOROANTHRACENE-9,10-DIONE · 2-Chloroanthra-9,10-quinone
識別子と物理属性
| CAS No. | 131-09-9 |
|---|---|
| 分子式 | C14H7ClO2 |
| 平均分子量 | 242.65 g/mol |
| 単同位体質量 | 242.0134572 g/mol |
| SMILES | O=C1c2ccccc2C(=O)c2cc(Cl)ccc21 |
| InChIKey | FPKCTSIVDAWGFA-UHFFFAOYSA-N |
| PubChem CID | 8553 |
| ChEMBL | CHEMBL3186676 |
| EC No. | 205-010-0 |
| DTXSID | DTXSID7049213 |
| 現地名 | 2-クロロアントラキノン |
化学・物理的性質
| XLogP | 4 |
|---|---|
| 極性表面積 | 34.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 352 |
| Physical Description | Grey or green powder[Alfa Aesar MSDS] |
| Kovats Retention Index | 2116.8353355.88356356.47 |
| 融点 | 209-211 °C (lit.) |
| 沸点 | 345.65°C (rough estimate) |
| 密度 | 1.2377 (rough estimate) |
| 屈折率 | 1.5380 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystal |
| 色 | White to Light orange to Yellow |
| 溶解度 | 不溶性 |
| BRN | 2051842 |
| ヘンリー定数 | 4.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H |
| InChIKey | FPKCTSIVDAWGFA-UHFFFAOYSA-N |
| SMILES | C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1Cl |
| CAS データベース | 131-09-9(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Chloroanthraquinone(131-09-9) |
| EPAの化学物質情報 | 9,10-Anthracenedione, 2-chloro- (131-09-9) |
化学的特性
Pale yellow needle crystal. Insoluble in water, soluble in hot benzene, nitrobenzene, concentrated sulfuric acid.
安全性と法規制
| GHS 分類 | DangerH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (15.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (15.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (80.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (15.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 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, 2-chloro-2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Not irritating to skin or eyes of rabbitsA skin sensitizer in guinea pigs[IUCLID] Causes impaired liver function tests, kidney changes, and erythrocyte count changes in 30-day intermittent oral studies of rats[RTECS] A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (98.1%)Eye Irrit. 2 (82.7%)STOT SE 3 (80.8%) |
| 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.Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| F | 10 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | CB6151000 |
| 税関コード | 29147090 |
| 危険文句（R） | 36/37/38-43-36/37 |
| 化審法 | (4)-688 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36-37/39-24 |
| 危険等級 | Skin Sens. 1 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
2-Chloroanthraquinone is an important dye intermediate that can be used to make alizarin and aminoanthraquinone. This product has been evaluated as a photo-reagent for the analysis of ginsenosides using photoreduction fluorescence (PRF) detection method.
製法・合成法
製造方法
2-Chloroanthraquinone is prepared by condensing phthalic anhydride and chlorobenzene into p-chlorobenzoylbenzoic acid, and then cyclizing it with sulfuric acid.