トリフルオロ酢酸銀(I)
トリフルオロアセトキシ銀(I) · トリフルオロ酢酸銀(I) · トリフルオロ酢酸銀 · トリフルオロ酢酸銀, min. 98% · AgTFA · TRIFLUOROACETIC ACID SILVER SALT · SILVER(I) TRIFLUOROACETATE · Silver 2,2,2-trifluoroacetate
識別子と物理属性
| CAS No. | 2966-50-9 |
|---|---|
| 分子式 | C2AgF3O2 |
| 平均分子量 | 220.88 g/mol |
| 単同位体質量 | 219.8901359 g/mol |
| SMILES | O=C([O-])C(F)(F)F.[Ag+] |
| InChIKey | KZJPVUDYAMEDRM-UHFFFAOYSA-M |
| PubChem CID | 76299 |
| EC No. | 221-004-0 |
| DTXSID | DTXSID7062748 |
| 現地名 | トリフルオロ酢酸銀(I) |
化学・物理的性質
| 極性表面積 | 40.1 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 0 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 77.9 |
| 物質分類 | Metals -> Organic Acids, Metal Salts |
| Physical Description | White odorless powderHygroscopic and soluble in water[Alfa Aesar MSDS] |
| 融点 | 257-260 °C (dec.) (lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 結晶性粉末 |
| 色 | ライトベージュ～グレー |
| 溶解度 | 溶ける |
| BRN | 3634022 |
| InChI | InChI=1S/C2HF3O2.Ag/c3-2(4,5)1(6)7/h(H,6,7)/q+1/p-1 |
| InChIKey | KZJPVUDYAMEDRM-UHFFFAOYSA-M |
| SMILES | C(F)(F)(F)C(=O)O[Ag] |
| CAS データベース | 2966-50-9(CAS DataBase Reference) |
| EPAの化学物質情報 | Acetic acid, trifluoro-, silver(1+) salt (2966-50-9) |
化学的特性
light beige to grey crystalline powder
安全性と法規制
| GHS 分類 | DangerH300 (84.8%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Silver trifluoroacetate: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | A skin and strong eye irritant[Alfa Aesar MSDS] See Sodium fluoroacetate. |
| Hazard Classes and Categories | Acute Tox. 2 (84.8%) |
| 暴露管理・個人防護 | 0.01 [mg/m3], inhalable fraction (salts), as Ag[German Research Foundation (DFG)] |
| Threshold Limit Values (TLV) | 0.01 [mg/m3], as Ag (compounds) |
| Permissible Exposure Limit (PEL) | 0.01 [mg/m3], as Ag |
| Immediately Dangerous to Life or Health (IDLH) | 10.0 [mg/m3], as Ag |
| F | 3-8 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN3077 |
| PRTR法 | 1-82 |
| 税関コード | 28432900 |
| 危険文句（R） | 36/38-50-36/37/38 |
| 安衛法 | 57,57-2 |
| 危険表示 | Xi,T,N |
| hazard_note | Toxic/Hygroscopic |
| 安全措置（S） | 26-61-36/39 |
用途
用途
有機合成用試薬。
使用
Silver Trifluoroacetate functions as a catalyst in the synthesis of cyclobutene-fused azepines/dihydropyridines.
製法・合成法
純化方法
The extract is filtered and evaporated to dryness, then the powdered residue is completely dried in a vacuum desiccator over silica gel. Its solubility in Et2O is 33.5g in 750mL. It can be recrystallised from *C6H6 (solubility is: 1.9g in 30mL of *C6H6, and 33.5g will dissolve in 750mL of anhydrous Et2O). [Traynham & Dehn J Org Chem 23 1545 1958, Haszeldine J Chem Soc 584 1951.] Store it in the dark. It is also soluble in trifluoroacetic acid (15.2% at 30o), toluene, o-xylene and dioxane [Hara & Cady J Am Chem Soc 76 4285 1954]. [Beilstein 2 IV 461.]