ビスベンゼンセレニン酸無水物
1,3-ジフェニル-2-オキサ-1,3-ジセレナ(IV)プロパン-1,3-ジオン · 二(ベンゼンセレニン酸)無水物 · ビスベンゼンセレニン酸無水物 · ビス(ベンゼンセレニン酸)無水物 · 無水ベンゼンセレン酸 · 水ベンゼンセレニン酸 · 無水ベンゼンセレノン酸 · ベンゼンセレニン酸無水物
識別子と物理属性
| CAS No. | 17697-12-0 |
|---|---|
| 分子式 | C12H10O3Se2 |
| 平均分子量 | 360.1 g/mol |
| 単同位体質量 | 361.89604 g/mol |
| SMILES | O=[Se](O[Se](=O)c1ccccc1)c1ccccc1 |
| InChIKey | FHPZOWOEILXXBD-UHFFFAOYSA-N |
| PubChem CID | 87253 |
| EC No. | 241-701-3 |
| DTXSID | DTXSID10170228 |
| 現地名 | ビスベンゼンセレニン酸無水物 |
化学・物理的性質
| 極性表面積 | 43.4 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 253 |
| 融点 | 165-170 °C (lit.) |
| 沸点 | 184.2±23.0 °C(Predicted) |
| 貯蔵条件 | RT, stored under nitrogen |
| 外観・状態 | 個体 |
| BRN | 2332406 |
| InChI | InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H |
| InChIKey | FHPZOWOEILXXBD-UHFFFAOYSA-N |
| SMILES | C1([Se](O[Se](C2=CC=CC=C2)=O)=O)=CC=CC=C1 |
| CAS データベース | 17697-12-0(CAS DataBase Reference) |
化学的特性
WHITE TO LIGHT BEIGE POWDER
安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 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 | Benzeneseleninic acid, anhydride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (100%)STOT RE 2 (100%)Aquatic Acute 1 (100%)Aquatic Chronic 1 (100%) |
| F | 3-10-21 |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 3283 6.1/PG 2 |
| PRTR法 | 1-242 |
| 税関コード | 29310099 |
| 危険文句（R） | 23/25-33-50/53 |
| 安衛法 | 57,57-2 |
| 危険表示 | T,N |
| 安全措置（S） | 20/21-28-45-60-61 |
| 危険等級 | 6.1 |
用途
使用
Benzeneseleninic acid anhydride was used to oxidize hydrazines to afford azo-compounds.
一般的な説明
Oxidation of phenols by benzeneseleninic acid anhydride yields ortho-quinones. Benzeneseleninic anhydride acts as a mild oxidant for the conversion of benzylic hydrocarbons into aldehydes or ketones.
製法・合成法
純化方法
When the anhydride is recrystallised from *C6H6 it has m 124-126o, but when this is heated at 140o/1hour in a vacuum or at 90o/2hours it has m 164-165o and gives a solid m 124-126o when then recrystallised from *C6H6. Both depress the melting point of the acid PhSeO2H. If the high melting anhydride is dissolved in *C6H6 and seeded with the high melting anhydride, the high melting anhydride crystallises out. It readily absorbs H2O to form the acid (PhSeO2H, m 122-124o). Because of this the commercial anhydride could contain up to 30% of the acid. It is best purified by converting to the HNO3 complex (m 112o) and heating this in vacuo at 120o/72hours to give the anhydride as a white powder m 164-165o. Alternatively heat the anhydride in vacuo at 120o/72 hours until the IR shows no OH band. [Ayvrey et al. J Chem Soc 2089 1962, Barton et al. J Chem Soc, Perkin Trans 1 567 1977, Beilstein 11 H 422, 11 I 110, 11 III 716, 11 IV 708.] TOXIC solid.