heptadecafluorononanoic acid

• ChemBase编号: 98798
• 分子式: C9HF17O2
• 平均质量: 464.0758944
• 单一同位素质量: 463.97050901
• SMILES: FC(F)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: OC(=O)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
• InChI: InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)
• InChIKey: UZUFPBIDKMEQEQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptadecafluorononanoic acid
• IUPAC传统名: perfluorononanoic acid
• 别名: 全氟壬酸; 十七氟壬酸; 全氟壬酸; 十七氟壬酸; Heptadecafluorononanoic acid; Perfluorononanoic acid; Perfluorononanoic acid; Perfluorononanoic acid 98%; Heptadecafluorononanoic acid; n-Heptadecafluorononanoic acid

登记号

• CAS号: 375-95-1
• EC号: 206-801-3
• MDL号: MFCD00039605
• Beilstein号: 1897287
• PubChem SID: 24864596; 162085163; 24887173
• PubChem CID: 67821

理论计算性质

• Acid pKa: -6.5058527
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.2840142
• LogD (pH = 7.4): 2.2840142
• Log P: 5.813482
• 摩尔折射率: 46.3299 cm^3
• 极化性: 18.633137 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 59-62 °C(lit.); 63-68°C; 65-68°C
• 沸点: 218°C/740mm; 218°C
• 闪点: None; none°C

安全信息

• 保存注意事项: Corrosive/Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3261
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): III
• 危险公开号: 34; 36/37/38
• 安全公开号: 26-36; 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H314-H318; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥95.0% (GC); 97%
• 级别: purum
• 线性分子式: CF3(CF2)7COOH

详细说明

Sigma Aldrich - 394459

包装
5, 25 g in glass bottle