henicosafluoroundecanoic acid

• ChemBase编号: 9854
• 分子式: C11HF21O2
• 平均质量: 564.0909072
• 单一同位素质量: 563.96412189
• SMILES: C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: OC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
• InChIKey: SIDINRCMMRKXGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: henicosafluoroundecanoic acid
• IUPAC传统名: henicosafluoroundecanoic acid
• 别名: 全氟十一酸; Perfluoroundecanoic acid; Henicosafluoroundecanoic acid; Perfluoroundecanoic acid 96%; Perfluoroundecanoic acid

登记号

• CAS号: 2058-94-8
• EC号: 218-165-4
• MDL号: MFCD00153268
• PubChem SID: 24868295; 160973161
• PubChem CID: 77222

理论计算性质

• Acid pKa: -5.1979723
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.6852999
• LogD (pH = 7.4): 3.6852996
• Log P: 7.2147675
• 摩尔折射率: 55.6659 cm^3
• 极化性: 22.468233 Å^3
• 极化表面积: 37.3 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: 83-87°C; 96-101 °C(lit.)
• 沸点: 155°C/95mm; 160 °C/60 mmHg(lit.)
• 闪点: 113 °C; 113°C; 235.4 °F

安全信息

• 保存注意事项: Harmful/Irritant; IRRITANT, TOXIC
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/38
• 安全公开号: 26-36/37/39
• 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
• GHS警示性声明: 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: 95%; 96%
• 线性分子式: CF3(CF2)9CO2H

详细说明

Sigma Aldrich - 446777

包装
5, 25 g in glass bottle