heptacosafluorotetradecanoic acid

• ChemBase编号: 98844
• 分子式: C14HF27O2
• 平均质量: 714.1134264
• 单一同位素质量: 713.95454121
• SMILES: OC(=O)C(C(C(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)(F)F)(F)F)(F)F
• Canonical SMILES: OC(=O)C(C(C(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)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)
• InChIKey: RUDINRUXCKIXAJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptacosafluorotetradecanoic acid
• IUPAC传统名: heptacosafluorotetradecanoic acid
• 别名: 全氟十四酸; Perfluorotetradecanoic acid 97%; Perfluorotetradecanoic acid; Perfluoromyristic acid

登记号

• CAS号: 376-06-7
• EC号: 206-803-4
• MDL号: MFCD00153263
• Beilstein号: 1811438
• PubChem SID: 162085197; 24868296
• PubChem CID: 67822

理论计算性质

• Acid pKa: -5.1978626
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.787228
• LogD (pH = 7.4): 5.787228
• Log P: 9.316695
• 摩尔折射率: 69.6699 cm^3
• 极化性: 28.221552 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 130-132°C; 130-135 °C(lit.); 130-135°C
• 沸点: 192°C/60mm; 270 °C/740 mmHg(lit.); 270°C/740mm

安全信息

• 保存注意事项: Corrosive/Harmful/Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 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
• 安全公开号: 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05
• GHS危险声明: H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 96%; 97%
• 线性分子式: CF3(CF2)12CO2H

详细说明

Apollo Scientific Ltd - PC6218E

Soluble in water.

Sigma Aldrich - 446785

包装
5 g in glass bottle