2-クロロ-2-フェニルアセトフェノン
2-クロロ-2-フェニルアセトフェノン · 2-クロロ-1,2-ジフェニルエタン-1-オン · α-クロロ-α-フェニルアセトフェノン · 1,2-ジフェニル-2-クロロエタノン · デシルクロリド · 2-クロロ-1,2-ジフェニルエタノン · α-クロロデオキシベンゾイン · 2-chloro-1,2-diphenylethanone
識別子と物理属性
| CAS No. | 447-31-4 |
|---|---|
| 分子式 | C14H11ClO |
| 平均分子量 | 230.69 g/mol |
| 単同位体質量 | 230.0498427 g/mol |
| SMILES | O=C(c1ccccc1)C(Cl)c1ccccc1 |
| InChIKey | RXDYOLRABMJTEF-UHFFFAOYSA-N |
| PubChem CID | 95343 |
| EC No. | 207-181-7 |
| DTXSID | DTXSID50870538 |
| 現地名 | 2-クロロ-2-フェニルアセトフェノン |
化学・物理的性質
| XLogP | 3.4 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 3 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 227 |
| 融点 | 62-63 °C(lit.) |
| 沸点 | 330°C (rough estimate) |
| 密度 | 1.1223 (rough estimate) |
| 屈折率 | 1.5260 (estimate) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | powder to crystal |
| 色 | White to Almost white |
| BRN | 744474 |
| InChI | InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H |
| InChIKey | RXDYOLRABMJTEF-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=CC=C1)C(Cl)C1=CC=CC=C1 |
| CAS データベース | 447-31-4(CAS DataBase Reference) |
| EPAの化学物質情報 | Desyl chloride (447-31-4) |
化学的特性
off-white to light beige powder
安全性と法規制
| GHS 分類 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%)Eye Dam. 1 (90.9%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | AM6825000 |
| 輸送番号（UN） | UN 3261 8/PG 2 |
| 税関コード | 2914 79 00 |
| 危険文句（R） | 34-37 |
| 危険表示 | C |
| 安全措置（S） | 26-36/37/39-45 |
| 危険等級 | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 8A - Combustible, corrosive hazardous materials |
製法・合成法
純化方法
For the purification of small quantities recrystallise it from pet ether (b 40-60o), but use MeOH or EtOH for larger quantities. For the latter solvent, dissolve 12.5g of chloride in 45mL of boiling EtOH (95%), filter and the filtrate yields colourless crystals (7.5g) on cooling. A further crop (0.9g) can be obtained by cooling in an ice-salt bath. It turns brown on exposure to sunlight but it is stable in sealed dark containers. The R(+)-enantiomer has m 75-76o (from pet ether) and []546.1 +168.4o (c 0.6, Me2CO) [Roger & Wood J Chem Soc 811 1954]. [Henley & Turner J Chem Soc 1182 1931, Ward Org Synth Coll Vol II 159 1943, Beilstein 7 H 436, 7 I 234, 7 II 369, 7 III 2106, 7 IV 1396.]