potassium trifluoroacetate

• ChemBase编号: 7751
• 分子式: C2F3KO2
• 平均质量: 152.1137096
• 单一同位素质量: 151.94874558
• SMILES: O=C(C(F)(F)F)[O-].[K+]
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[K+]
• InChI: InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• InChIKey: CUNPJFGIODEJLQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium trifluoroacetate
• IUPAC传统名: potassium ion trifluoroacetate; potassium trifluoroacetate
• 别名: 三氟乙酸 钾盐; 三氟乙酸钾; Potassium trifluoroacetate 98%; Trifluoroacetic acid potassium salt; Potassium trifluoroacetate; TRIFLUOROACETIC ACID; Trifluoroacetic acid potassium salt

登记号

• CAS号: 2923-16-2
• EC号: 220-877-5
• MDL号: MFCD00013215
• Beilstein号: 3717603
• PubChem SID: 160971058; 24857002
• PubChem CID: 23662811

理论计算性质

• Acid pKa: 0.9503416
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• 摩尔折射率: 24.491 cm^3
• 极化性: 5.106112 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear, colorless
• 熔点: 140-142 °C; 140-142 °C(lit.); 142-145°C; 142-145°C; 143-145°C
• 密度: 1.49 g/mL(lit.)

安全信息

• 保存注意事项: Hygroscopic; IRRITANT, MOISTURE SENSITIVE, HYGROSCOPIC; Irritant/Hygroscopic/Store under inert gas
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 28-50; 36/37/38
• 安全公开号: 20-22-26-45-61; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS06; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H400; H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P264-P273-P301 + P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%; ≥99.0% (dry substance, NT); 98%
• 级别: puriss. p.a.
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• 线性分子式: CF3COOK

详细说明

MP Biomedicals - 02191333

Potassium Salt
Crystalline powder
Purity: ≥99%
Specific gravity: 1.276 g/ml.

Sigma Aldrich - 281883

包装
25, 100 g in glass bottle

参考文献

• Reagent for preparation of aryl trifluoromethyl sulfides, by heating with the diaryl disulfide: Tetrahedron Lett., 37, 9057 (1996).