全氟癸烷 | 307-45-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 全氟癸烷
• 中文别名: N-全氟正癸烷
• 英文名称: docosafluorodecane
• 英文别名: Perfluordecan；perfluorodecane；perfluoro-n-decane；1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane
• CAS: 307-45-9
• 化学式: C₁₀F₂₂
• 分子量: 538.075
• InChiKey: BPHQIXJDBIHMLT-UHFFFAOYSA-N

物化性质

• 熔点：
  36
• 沸点：
  144
• 密度：
  1.77
• 闪点：
  55℃
• 物理描述：
  Liquid
• 溶解度：
  Poor solvents for all materials except for those with low cohesive energies, such as gases and other PFCs. ... practically insoluble in water and only slightly soluble in hydrocarbons. /Fluorine compounds, organic (aliphatic)/
• 分解：
  When heated to decomposition it emits toxic vapors of /hydrogen fluoride/. /Octadecafluorooctane/
• 相对蒸发率：
  Volatilities are much higher than expected based on their molecular weights. /Fluorine compounds, organic (aliphatic)/

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  22

ADMET

代谢

对Fischer 344和Sprague-Dawley大鼠进行了吸入1.0%（体积比）空气中的哈龙替代品，包括全氟己烷（PFH）2小时的暴露后的代谢研究。两种品系的大鼠结果之间没有显著差异。在PFH研究中，暴露动物的尿液或组织中未检测到代谢物。

Metabolism studies were conducted using Fischer 344 and Sprague-Dawley rats following inhalation exposure to 1.0% (v/v) air atmospheres of /halon replacement candidates including/ perfluorohexane (PFH) for 2 h. There were no remarkable differences in results between the two strains of rats. For PFH studies, no metabolites were detected in the urine or tissues of exposed animals.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 人类毒性摘录

/人类暴露研究/ 全氟碳诱导暂时的白细胞减少症，肝功能检测值升高，肺动脉压力增加，暂时性低血压，体温升高，以及肺功能衰竭。/全氟碳/

/HUMAN EXPOSURE STUDIES/ Perfluorocarbons induce a transient leukopenia, elevated liver function test values, increased pulmonary artery pressure, transient hypotension, hyperthermia, and pulmonary failure. /Perfluorocarbons/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

/SPECIAL STUDIES/ 五只眼睛的手术标本进行了研究。三个标本在再次手术以治疗复发性视网膜脱落时获得；一个在重复穿透性角膜移植手术中获得，一个在移除残留的PFO时获得。每只眼睛在手术前或手术中均注意到眼内结构上有宏观的白色片状物质。组织病理学分析显示炎症反应，特点为巨噬细胞内有含PFO的细胞内空泡。在所有五只眼睛中移除PFO，并结合在三只眼睛中重复进行视网膜复位手术，结果炎症反应得到解决。 /全氟正辛烷/

/SPECIAL STUDIES/ Surgical specimens from five eyes were studied. Three specimens were obtained at the time of further surgery for recurrent retinal detachment; one at repeat penetrating keratoplasty, and one at removal of retained PFO. Each eye had macroscopic white flake-like material on intraocular structures noted before or during surgery. Histopathologic analysis disclosed an inflammatory response featuring macrophages with intracellular vacuoles containing PFO. Removal of the PFO in all five eyes combined with repeat retinal reattachment surgery in three eyes resulted in resolution of the inflammatory response. /Perfluoro-n-octane/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验室动物：急性暴露/对5只雄性和5只雌性查尔斯河白化大鼠进行了5毫克/公斤的单次剂量的测试/。所有剂量水平都以2.99毫升/公斤体重的体积给药。在大鼠开始研究时立即给药前，它们的体重为208-240克，并在第7天和第14天记录了体重。在大鼠暴露后的4小时内观察异常迹象，并在之后的14天内每天观察。没有发生死亡。所有动物看起来正常并增加了体重。在大体解剖中没有发现可见的病变。估计的口服LD50大于5.0克/公斤。/98.8%全氟己烷/

/LABORATORY ANIMALS: Acute Exposure/ A single dose of 5 mg/kg was tested /on 5 male and 5 female Charles River albino rats/. All dose levels were administered as volumes of 2.99 ml/kg bw. The rats weighed 208-240 g at the beginning of the study immediately prior to dosing, and weights were recorded at Day 7 and Day 14. The rats were observed for abnormal signs during the 4 hr after exposure, and daily thereafter for 14 days. No deaths occurred. All animals appeared normal and gained weight. There were no visible lesions found at gross necropsy. The estimated oral LD50 is >5.0 g/kg. /98.8% Perfluorohexane/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验室动物：急性暴露/ 三只白化兔（1只雌性和2只雄性）的一只眼睛的结膜囊内未稀释涂抹了0.1毫升/全氟己烷/。在将测试物质应用到眼睛后1、24、48和72小时对刺激进行评分。主要刺激分数为零。所有案例报告的主要眼刺激分数为0.0，表示在任何时间点都未观察到角膜、虹膜或结膜的刺激/98.8%全氟己烷/。

/LABORATORY ANIMALS: Acute Exposure/ Three albino rabbits /(1 female and 2 male) had 0.1 ml of /perfluorohexane/ applied undiluted to the conjunctival sac of one eye. Irritation was scored at 1, 24, 48 and 72 hours after application of test article into the eye. Primary irritation score was zero. All cases report the primary eye irritation scores were 0.0, indicating no observation of corneal, iridal or conjunctival irritation at any time. /98.8% Perfluorohexane/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

氟-19核磁共振光谱显示，各种体液和体内肝脏的共振来自PFOA或PFDA的母化合物，并未发现任何代谢的证据。来自饮食来源的无机氟化物在暴露组与对照组的大鼠尿液中均可检测到。PFOA与PFDA的排泄途径差异明显。数据显示，PFOA更容易通过尿液排出，而PFDA则主要经胆汁排出。这些明显的排泄差异可能是它们观察到的有效毒性差异的原因。PFOA与急性短暂毒性和较高的LD50相关，这可能是由于它迅速通过肾脏清除。

Fluorine-19 NMR spectra of various bodily fluids and liver in vivo display resonances of the parent PFOA or PFDA compounds and do not reveal any evidence of metabolism. Inorganic fluoride from dietary sources is detected in urine from both exposed and control rats. Differences in the route of excretion of PFOA vs PFDA are apparent. The data suggest that PFOA is more readily excreted in the urine while PFDA is preferentially carried in bile. These apparent differences in elimination may account for their observed differences in effective toxicity. The acute transient toxicity and higher LD50 associated with PFOA may result from its rapid renal clearance.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2901100000

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  1H-氢氟癸	α-hydroperfluorodecane	375-97-3	C10HF21	520.084
  1-碘全氟癸烷	1-Iodo-perfluorodecane	423-62-1	C10F21I	645.981
  1-碘全氟戊烷	undecafluoro-1-iodopentane	638-79-9	C5F11I	395.942

反应信息

• 作为产物：
  描述：

  癸烷 在 cobalt (III) fluoride 作用下， 生成 全氟癸烷
  参考文献：
  名称：

  715.有机氟化物。第五部分：三氟化钴对烃类的氟化

  摘要：

  DOI：

  10.1039/jr9500003617

文献信息

• [EN] METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES<br/>[FR] PROCÉDÉS DE PRODUCTION DE PENTAFLUORURES DE SOUFRE ARYLÉS
  申请人：IM & T RES INC

  公开号：WO2010014665A1

  公开（公告）日：2010-02-04

  Novel methods for preparing arylsulfur pentafluorides are disclosed. Arylsulfur halotetrafluoride is reacted with a fluoride source under hydrous conditions to form an arylsulfur pentafluoride. The purification method is also disclosed.

  揭示了制备芳基硫五氟化物的新方法。芳基硫卤四氟化物在湿润条件下与氟化物源反应，形成芳基硫五氟化物。还公开了纯化方法。
• [EN] ANTIBODIES AND ANTIBODY-DRUG CONJUGATES<br/>[FR] ANTICORPS ET CONJUGUÉS ANTICORPS-MÉDICAMENT
  申请人：MEDIMMUNE LTD

  公开号：WO2015155345A1

  公开（公告）日：2015-10-15

  This application provides antibodies and antigen binding fragments thereof which are capable of specifically binding the 5T4 cell surface antigen, antibody-drug conjugates, and antibody-imaging agent conjugates, as well as means and methods for producing and using them.

  该应用程序提供了能够特异性结合5T4细胞表面抗原、抗体药物偶联物以及抗体成像剂偶联物的抗体及其抗原结合片段，以及生产和使用它们的方法和手段。
• PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES
  申请人：UMEMOTO TERUO

  公开号：US20080234520A1

  公开（公告）日：2008-09-25

  Novel processes for preparing arylsulfur pentafluorides are disclosed. Processes include reacting at least one aryl sulfur compound with a halogen and a fluoro salt to form an arylsulfur halotetrafluoride. The arylsulfur halotetrafluoride is reacted with a fluoride source to form a target arylsulfur pentafluoride.

  揭示了制备芳基硫五氟化物的新工艺。该工艺包括将至少一种芳基硫化合物与卤素和氟盐反应，形成芳基硫卤四氟化物。然后将芳基硫卤四氟化物与氟化物源反应，形成目标芳基硫五氟化物。
• Methods for Production of Optically Active Fluoropyrrolidine Derivatives
  申请人：Umemoto Teruo

  公开号：US20100174096A1

  公开（公告）日：2010-07-08

  Useful industrial methods for producing optically active fluoropyrrolidine derivatives as useful fluorinated intermediates are disclosed.

  揭示了用于生产光学活性氟吡咯烷衍生物的有用工业方法，作为有用的氟化中间体。
• MEDICINAL PREPARATION
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1787661A1

  公开（公告）日：2007-05-23

  A pharmaceutical preparation has a ligand structure specifically recognizing a target site and an amphiphilic compound having a hydrophobic or amphiphilic group. The pharmaceutical preparation employs an amphiphilic compound of specific structure obtained by introducing a chained hydrophilic group with an appropriate flexibility, and thus becomes a fine particle suited for drug targeting. The pharmaceutical preparation is expected to give a prolonged pharmacological effect. A particulate preparation exhibiting a remarkable site targeting property can be formed. Further, according to the selection of matrix forming material, the drug releasing property can be controlled.

  一种药物制剂具有特异性识别靶位点的配体结构和具有疏水或两性亲和性基团的两性化合物。该药物制剂采用通过引入具有适当柔韧性的链状亲水基团获得的特定结构的两性化合物，因此成为适用于药物靶向的细颗粒。 预计该药物制剂将产生持久的药理效应。可以形成具有显著靶向性能的颗粒制剂。此外，根据基质形成材料的选择，可以控制药物释放性能。