トリフェニルシラノール
トリフェニルシラノール · ヒドロキシトリフェニルシラン · トリフェニルシラノール, min. 98% · トリフェニルヒドロキシシラン · CFS-311 · LS 6400 · DKSI086 · DKFELEX0283
識別子と物理属性
| CAS No. | 791-31-1 |
|---|---|
| 分子式 | C18H16OSi |
| 平均分子量 | 276.4 g/mol |
| 単同位体質量 | 276.09704166 g/mol |
| SMILES | O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | NLSXASIDNWDYMI-UHFFFAOYSA-N |
| PubChem CID | 69925 |
| ChEMBL | CHEMBL378228 |
| ChEBI | CHEBI:35035 |
| EC No. | 212-339-3 |
| DTXSID | DTXSID1036545 |
| 現地名 | トリフェニルシラノール |
化学・物理的性質
| 極性表面積 | 20.2 |
|---|---|
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 3 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 240 |
| Collision Cross Section | 171.0 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1036545] |
| 融点 | 150-153 °C (lit.) |
| 沸点 | 389 °C [760mmHg] |
| 密度 | 1.13 |
| 屈折率 | 1.628 |
| 引火点 | >200°C |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 13.39±0.58(Predicted) |
| 色 | 白い |
| 溶解度 | 反応する |
| BRN | 985007 |
| InChIKey | NLSXASIDNWDYMI-UHFFFAOYSA-N |
| CAS データベース | 791-31-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Silanol, triphenyl-(791-31-1) |
| EPAの化学物質情報 | Silanol, triphenyl- (791-31-1) |
化学的特性
White crystal
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 36.1% (26 of 72) of reports.WarningH315 (63.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (63.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (61.1%): 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 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 26 of 72 reports by companies.There are 4 notifications provided by 46 of 72 reports by companies with hazard statement code(s).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: Silanol, triphenyl-Triphenylsilanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (63.9%)Eye Irrit. 2 (63.9%)STOT SE 3 (61.1%) |
| F | 21 |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | VV4325500 |
| 税関コード | 29310095 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (3)-2638 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
用途
使用
Triphenylsilanol is used as a water surrogate for regioselective Pd catalyzed allylations. A thick on germanium substrates have been produced by the electron bombardment of an evaporated thin film of triphenylsilanol.
製法・合成法
純化方法
It is purified by dissolving in pet ether, passing through an Al2O3 column, eluting thoroughly with CCl4 to remove impurities and then eluting the silanol with MeOH. Evaporation gives crystals with m 153-155o. It can be recrystallised from pet ether, CCl4 or from *benzene or Et2O/pet ether (1:1). It has also been recrystallised by partial freezing from the melt to constant melting point. [George & Gilman J Am Chem Soc 81 3288 1959, IR: Tatlock & Rochow J Org Chem 17 1555 1952 and Richards & Thompson J Chem Soc 124 1949, Beilstein 16 IV 1480.]