ジフェニルジセレニド
ジフェニルジセレニド · フェニルジセレニド · 1,1'-ジセレノビスベンゼン · ジフェニルペルジセレニド · ジフェニルペルセレニド · 二セレン化ジフェニル · 二セレン化フェニル · ２セレン化ジフエニル
識別子と物理属性
| CAS No. | 1666-13-3 |
|---|---|
| 分子式 | C12H10Se2 |
| 平均分子量 | 312.1 g/mol |
| 単同位体質量 | 313.91129292 g/mol |
| SMILES | c1ccc([Se][Se]c2ccccc2)cc1 |
| InChIKey | YWWZCHLUQSHMCL-UHFFFAOYSA-N |
| PubChem CID | 15460 |
| ChEMBL | CHEMBL3122204 |
| ChEBI | CHEBI:232541 |
| EC No. | 216-780-2 |
| DTXSID | DTXSID6061864 |
| 現地名 | ジフェニルジセレニド |
化学・物理的性質
| 極性表面積 | 0 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 3 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 128 |
| 融点 | 60 °C |
| 沸点 | 202 °C / 11mmHg |
| 密度 | 1.5570 |
| 屈折率 | 1.7430 |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 粉 |
| 色 | 黄色 |
| 比重 | 1.84 |
| 溶解度 | 不溶性 |
| BRN | 2047179 |
| InChI | 1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H |
| InChIKey | YWWZCHLUQSHMCL-UHFFFAOYSA-N |
| SMILES | [Se]([Se]c1ccccc1)c2ccccc2 |
| CAS データベース | 1666-13-3(CAS DataBase Reference) |
| NISTの化学物質情報 | Diselenide, diphenyl(1666-13-3) |
| EPAの化学物質情報 | Diselenide, diphenyl (1666-13-3) |
化学的特性
yellow crystalline powder
安全性と法規制
| GHS 分類 | DangerH301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Diselenide, diphenylDiphenyl diselenide: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 3 (97.9%) |
| Minimum Risk Level | Chronic Oral: 0.005 mg/kg/day (L134) |
| 健康影響 | Chronic oral exposure to high concentrations of selenium compounds can produce a disease called selenosis. The major signs of selenosis are hair loss, nail brittleness, and neurological abnormalities (such as numbness and other odd sensations in the extremities). Animal studies have shown that selenium may also affect sperm production and the female reproductive cycle. (L619) |
| 暴露経路 | Oral (L619)inhalation (L619)dermal (L619) |
| 毒性の概要 | Selenium readily substitutes for sulfur in biomolecules and in many biochemical reactions, especially when the concentration of selenium is high and the concentration of sulfur is low. Inactivation of the sulfhydryl enzymes necessary for oxidative reactions in cellular respiration, through effects on mitochondrial and microsomal electron transport, might contribute to acute selenium toxicity. Selenomethionine (a common organic selenium compound) also appears to randomly substitute for methionine in protein synthesis. This substitution may affect the structure and functionability of the protein, for example, by altering disulfide bridges. Inorganic forms of selenium appear to react with tissue thiols by redox catalysis, resulting in formation of reactive oxygen species and causing damage by oxidative stress. (L619) |
| Signs and Symptoms | Short-term oral exposure to high concentrations of selenium may cause nausea, vomiting, and diarrhea. Brief exposures to high levels of elemental selenium or selenium dioxide in air can result in respiratory tract irritation, bronchitis, difficulty breathing, and stomach pains. Longer-term exposure to either of these air-borne forms can cause respiratory irritation, bronchial spasms, and coughing. (L619) |
| Carcinogen Classification | 3, not classifiable as to its carcinogenicity to humans. (L135) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | JM9152500 |
| 輸送番号（UN） | UN 3283 6.1/PG 2 |
| PRTR法 | 第一種指定化学物質 |
| 税関コード | 2931 90 00 |
| 危険文句（R） | 23/25-33-50/53 |
| 安衛法 | 57-2 |
| 危険表示 | T,N |
| 安全措置（S） | 20/21-28-45-60-61-28A |
| 危険等級 | 6.1Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 |
| 包装等級 | II |
| 毒劇物取締法 | 毒物 |
| 貯蔵分類 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
用途
用途
有機合成原料。
使用
Diphenyl diselenide is used in the methoxyselenenylation of alkenes, dihydroxylation of double bonds, hydrothiolation of terminal alkynes. It is used in the synthesis of the unsymmetrical diorganyl selenides, 1-(phenylselenomethyl)vinyl selenides, allylic phenyl selenides.
一般的な説明
Diphenyl diselenide (Ph2Se2) is an organoselenium compound. Its crystalline structure, toxicokinetic properties, antioxidant and anti-inflammatory activities have been investigated. Its ability to reverse the oxidative brain damage and mitochondrial dysfunction induced by acetaminophen has been studied in mice. It reacts with thallium (Tl) to form TI (SePh). It participates in a four-component radical coupling to form substituted cyclopentanes.
製法・合成法
純化方法
Crystallise it twice from hexane [Kice & Purkiss J Org Chem 52 3448 1987]. [Beilstein 6 IV 1781.]