双(全氟辛基磺酰基)胺 | 39847-41-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 双(全氟辛基磺酰基)胺
• 英文名称: bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanesulfonyl)imide
• 英文别名: bis(pentafluoro-n-octylsulfonyl)amine；bis(perfluorooctanesulfonyl)amide；bis(perfluorooctanesulfonyl)amine；bis(perfluorooctanesulfonyl)imide；Bis(Perfluorooctylsulfonyl)amine；1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)octane-1-sulfonamide
• CAS: 39847-41-1
• 化学式: C₁₆HF₃₄NO₄S₂
• 分子量: 981.266
• InChiKey: FKDMKFQVVFJJFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  143.3 °C
• 沸点：
  378.4±52.0 °C(Predicted)
• 密度：
  1.853±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  57
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  97.1
• 氢给体数：
  1
• 氢受体数：
  39

安全信息

• 危险品标志：
  Xi

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Bis(Perfluorooctylsulfonyl)amine
Synonyms: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-(perfluorooctylsulfonyl)octane-1-sulfonamide;
N-(Perfluorooctylsulfonyl)perfluorooctane-1-sulfonamide

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Bis(Perfluorooctylsulfonyl)amine
39847-41-1
CAS number:

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Inhalation:
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C16HF34NO4S2
Molecular weight: 981.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  双(全氟辛基磺酰基)胺 在 lithium hydroxide 作用下， 以 水 为溶剂， 反应 2.0h， 以95%的产率得到lithium bis(perfluorooctylsulfonyl)amide
  参考文献：
  名称：

  Efficient Acetylation of Alcohols and Phenols Catalyzed by Recyclable Lithium Bis(perfluoroalkylsulfonyl)imide

  摘要：

  An efficient acetylation of alcohols and phenols catalyzed by lithium bis(perfluoroalkylsulfonyl)-imide was developed. This acetylation features good yields, mild reaction condtions, and simple workup procedures. Furthermore, the catalyst bearing a long perfluoroalkyl chain is recoverable and readily reusable without losing any activity.

  DOI：

  10.1080/00397911.2011.589563
• 作为产物：
  描述：

  全氟辛基磺酰胺 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 双(全氟辛基磺酰基)胺
  参考文献：
  名称：

  Perfluorinated Brønsted 'Superacids': Powerful Catalysts for the Preparation of Vitamin E

  摘要：

  工业合成（全反式）-α-生育酚（合成维生素E）的关键步骤是三甲基对羟基苯醌与C20组分异叶醇的缩合反应。对于这种弗里德尔-克拉夫茨类型的反应，全氟化的NH-和CH-酸性化合物（全氟烷基（芳基）磺酰亚胺和甲亚胺）已被应用作为优秀的催化剂，最好是在两相溶剂体系中。

  DOI：

  10.2533/000942904777678181

文献信息

• Synthesis of symmetric and dissymetric bisperfluoroalkanesulfonylimides and evaluation of their inhibition on bovine carbonic anhydrase
  作者：Zohra Benfodda、Franck Guillen、Hubert Blancou

  DOI：10.1002/hc.20452

  日期：2008.7

  describes a synthesis of symmetric and dissymmetric bis[(perfluoroalkane)-sulfonyl]imides by the reaction of the sodium salt of perfluoroalkanesulfonamide RFSO2NH−Na+ (RF = C4F9, C6F13, C8F17) with hexamethyldisilazane and perfluoroalkanesulfonylfluoride RFSO2F (RF = C4F9, C6F13, C8F17). They are obtained, in two steps, in moderate overall yield. Moreover, this paper provides a study of their inhibition on

  本研究描述了通过全氟烷烃磺酰胺 RFSO2NH−Na+（RF = C4F9、C6F13、C8F17）的钠盐与六甲基二硅氮烷和全氟烷烃磺酰氟 RFSO2F（RF = C4F39 , )。它们分两步以中等总产率获得。此外，本文还研究了它们对牛碳酸酐酶的抑制作用。© 2008 Wiley Periodicals, Inc. 杂原子化学 19:542–548, 2008; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20452
• Sc[N(SO2C8F17)2]3 catalyzed condensation of β-naphthol and aldehydes in fluorous solvent: One-pot synthesis of 14-substituted-14H-dibenzo[a,j]xanthenes
  作者：Mei Hong、Chun Cai

  DOI：10.1016/j.jfluchem.2009.06.013

  日期：2009.10

  A facile synthesis of 14-substituted-14H-dibenzo[a,j]xanthenes was proposed by one-pot condensation of β-naphthol with aryl or alkyl aldehydes by using Scandium bis(perfluorooctanesulfonyl)imide complex as catalyst and perfluorodecalin as sole solvent.

  以双（全氟辛烷磺酰基）亚胺Scan为催化剂，以全氟萘烷为唯一溶剂，通过β-萘酚与芳基或烷基醛的一锅缩合反应，提出了一种容易合成的14-取代-14 H-二苯并[ a，j ]黄嘌呤的方法。 。
• Ytterbium(III) Bis(Perfluorooctanesulfonyl)Imide Catalyzed One-Pot Synthesis of Tetrahydrobenzo[<i>b</i>]Pyrans in Fluorous Biphase System
  作者：Mei Hong、Chun Cai

  DOI：10.3184/030823410x12863845344182

  日期：2010.10

  Ytterbium(III) bis(perfluorooctanesulfonyl)imide [Yb(NPf2)3] has been prepared, and used as an efficient catalyst for the synthesis of 4H-benzo[b]pyran derivatives by a one-pot three-component condensation of aldehydes, active methylene compounds, and dimedone in a fluorous biphase system (FBS). The reaction proceeds smoothly and affords the corresponding 4H-benzo[b]pyrans in moderate to excellent

  镱（III）双（全氟辛烷磺酰基）亚胺[Yb(NPf2)3]已被制备，并用作通过醛的一锅三组分缩合合成4H-苯并[b]吡喃衍生物的有效催化剂，活性亚甲基化合物和二甲酮在含氟双相系统 (FBS) 中。反应顺利进行并以中等至极好的产率提供相应的4H-苯并[b]吡喃。催化剂选择性地溶解在氟相中，可以通过简单的相分离回收，多次重复使用，活性没有明显下降。
• Hafnium (IV) bis(perfluorooctanesulfonyl)imide complex catalyzed synthesis of polyhydroquinoline derivatives via unsymmetrical Hantzsch reaction in fluorous medium
  作者：Mei Hong、Chun Cai、Wen-Bin Yi

  DOI：10.1016/j.jfluchem.2009.10.009

  日期：2010.1

  A facile and efficient synthesis of polyhydroquinoline derivatives was reported via four-component condensation reaction of aldehydes, dimedone, active methylene compounds, and ammonium acetate in the presence of Hf(NPf2)4 in C10F18 at 60 °C. The method offers several advantages including high yields, short reaction time, simple work-up procedure and catalyst reusability.

  polyhydroquinoline衍生物的简便和有效的合成经由HF（NPF的存在醛，双甲酮，活性亚甲基化合物，和醋酸铵的四组分缩合反应报道2）4用C 10 ˚F 18在60℃下。该方法具有许多优点，包括产率高，反应时间短，后处理步骤简单和催化剂可重复使用性。
• PREPARATION OF HOMOALLYL ALCOHOLS IN THE PRESENCE OF NONCOVALENTLY SUPPORTED IONIC LIQUID PHASE CATALYSTS UNDER GAS-PHASE REACTION CONDITIONS
  申请人：STOCK CHRISTOPH

  公开号：US20120083630A1

  公开（公告）日：2012-04-05

  Process for preparing homoallyl alcohols by catalyzed reaction of alkenes with aldehydes or ketones, wherein the reaction is carried out in the gas phase in the presence of noncovalently supported ionic liquid phase catalysts.

  通过烯烃与醛或酮的催化反应制备同烯基醇的过程，在非共价支持离子液相催化剂存在下，在气相中进行反应。