(3,3,4,4,5,5,6,6,6-Nonafluoro-hexylsulfanyl)-acetic acid | 123708-08-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3,3,4,4,5,5,6,6,6-Nonafluoro-hexylsulfanyl)-acetic acid
• 英文别名: 4:2 Fluorotelomer thia acetic acid；2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)acetic acid
• CAS: 123708-08-7
• 化学式: C₈H₇F₉O₂S
• 分子量: 338.194
• InChiKey: PNELWSDCUOTNRN-UHFFFAOYSA-N

物化性质

• 沸点：
  110 °C(Press: 0.15 Torr)
• 密度：
  1.548±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (3,3,4,4,5,5,6,6,6-Nonafluoro-hexylsulfanyl)-acetic acid 在 五氯化磷 作用下， 以61%的产率得到2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)acetyl chloride
  参考文献：
  名称：

  Synthèse de nouveaux isocyanates F-alkylés dérivés des 2′-ou 3′-[2-(F-alkyl)éthylthio] alkanoates d'éthyle

  摘要：

  Ethyl 2'- or 3'-[2-(F-alkyl)ethylthio] alkanoates intermediates are prepared by condensation of ethyl bromoalkanoates with 2-(F-alkyl) ethanethiols. These eaters are used as starting material in the synthesis of new F-alkylated isocyanates performed according to the Curtius method.

  DOI：

  10.1016/s0022-1139(98)00205-x
• 作为产物：
  描述：

  1H,1H,2H,2H-perfluorohexyl mercaptan 在 甲醇 、 sodium 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 9.0h， 生成 (3,3,4,4,5,5,6,6,6-Nonafluoro-hexylsulfanyl)-acetic acid
  参考文献：
  名称：

  Surface properties of new catanionic semi-fluorinated hybrid surfactants

  摘要：

  In order to study their aggregation behaviour, a rapid synthetic procedure from perfluoroalkylethyl thiol derivatives led to twenty four original catanionic hybrid surfactants of general formula: [RF(CH2)(2)S(CHQ)(2)CO2-; HN+(CH3)(2)R-H (Q= H or Cl; R-F = C4F9, C6F13, C8F17; R-H = C6H13, C8H17, C10H21, C12H25)]. Critical aggregation concentration (CAC), surface tension at the CAC (gamma s) and free energy of aggregation (Delta G(A)degrees) of the title surfactants, in aqueous solution, have been investigated as a function of the number of carbon atoms in both the fluorinated and the hydrocarbon tails. TEM studies were used to estimate the shape and size of the aggregates and confirmed the general tendency of fluorinated surfactants to form aggregates with lesser curvature. These catanionic surfactants exhibited very low surface tension at critical aggregation concentration (CAC) of 15.3-17.4 mN m(-1) as well as low CAC of 3 x 10(-5)-11 x 10(-3) and the substitution of one hydrogen atom by one chlorine atom didn't affect significantly the aggregation phenomenon. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.02.004

文献信息

• BOMMELAER, JEAN;CAMBON, ALME;SZONYI, FRANCOIS
  作者：BOMMELAER, JEAN、CAMBON, ALME、SZONYI, FRANCOIS

  DOI：——

  日期：——