potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate

• ChemBase编号: 12123
• 分子式: C11H4F17KO2
• 平均质量: 530.2194144
• 单一同位素质量: 529.95769079
• SMILES: C(C(C(C(C(C(C(C(CCC(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F.[K+]
• Canonical SMILES: [O-]C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+]
• InChI: InChI=1S/C11H5F17O2.K/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;/h1-2H2,(H,29,30);/q;+1/p-1
• InChIKey: GLSNCEVEZGDFEG-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
• IUPAC传统名: potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate; potassium ion 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
• 别名: 2H,2H,3H,3H-全氟十一酸 钾盐; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷酸钾; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一烷酸 钾盐; 2H,2H,3H,3H-Perfluoroundecanoic acid potassium salt; Potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid potassium salt; Potassium 1H,1H,2H,2H-perfluoroundecanoate; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Heptafluoroundecanoic acid, potassium salt; Potassium 1H,1H,2H,2H-perfluoroundecanoate 97%

登记号

• CAS号: 83310-58-1
• EC号: 280-373-6
• MDL号: MFCD00042142
• Beilstein号: 7509593
• PubChem SID: 24889993; 160975430
• PubChem CID: 2782416

理论计算性质

• Acid pKa: 0.11068801
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2825627
• LogD (pH = 7.4): 2.2766838
• Log P: 5.806076
• 摩尔折射率: 66.5816 cm^3
• 极化性: 21.655733 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: ~210 °C (dec.)
• 闪点: none°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38
• 安全公开号: 26-36/37
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H315-H319-H332-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (NT); 97%
• 线性分子式: CF3(CF2)7CH2CH2COOK

详细说明

Sigma Aldrich - 94424

包装
5 g in poly bottle