三氟甲磺酸五氟苯酯 | 60129-85-3

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 三氟甲磺酸五氟苯酯
• 中文别名: 三氟甲磺酸五氟苯酚酯
• 英文名称: perfluorophenyl trifluoromethanesulfonate
• 英文别名: Pentafluorophenyl trifluoromethanesulfonate；(2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate
• CAS: 60129-85-3
• 化学式: C₇F₈O₃S
• 分子量: 316.128
• InChiKey: OTTBRWDUQHDNBY-UHFFFAOYSA-N

物化性质

• 沸点：
  40°C/0.5mmHg(lit.)
• 密度：
  1.75

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  11

安全信息

• 海关编码：
  2906299090
• 危险性防范说明：
  P501,P210,P264,P280,P302+P352,P370+P378,P337+P313,P305+P351+P338,P362+P364,P332+P313,P403+P235
• 危险性描述：
  H315,H319,H227

SDS

Pentafluorophenyl Trifluoromethanesulfonate
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Pentafluorophenyl Trifluoromethanesulfonate
5.3

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Pentafluorophenyl Trifluoromethanesulfonate
Percent: >97.0%(GC)
CAS Number: 60129-85-3
Synonyms: Trifluoromethanesulfonic Acid Pentafluorophenyl Ester , Pentafluorophenyl Triflate
C7F8O3S
Chemical Formula:

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a ventilation, local exhaust if vapour or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Protect from moisture.
Store away from incompatible materials such as oxidizing agents.
Moisture-sensitive
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Protective gloves.
Hand protection:
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colorless - Very pale yellow
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
40°C/0.1kPa
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
1.75
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride, Sulfur oxides
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. Observe all federal, state and local
regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations

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Section 14. TRANSPORT INFORMATION
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

三氟甲磺酸五氟苯酚酯主要用于作为研究用化合物。

反应信息

• 作为反应物：
  描述：

  1-庚炔 、 三氟甲磺酸五氟苯酯 在 四(三苯基膦)钯 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 以65%的产率得到1-Perfluorophenylheptyne
  参考文献：
  名称：

  Chen, Qing-Yun; Li, Zhan-Ting, Journal of the Chemical Society. Perkin transactions I, 1992, # 21, p. 2931 - 2934

  摘要：

  DOI：
• 作为产物：
  描述：

  三氟甲磺酸酐 、 五氟苯酚 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 三氟甲磺酸五氟苯酯
  参考文献：
  名称：

  镍与酸酐催化芳基三氟甲磺酸酯的脱羧烷基化

  摘要：

  脂肪族酸酐是通用的结构单元，因此，用于酸酐转化的新方法具有重要意义。在本文中，我们报道了通过镍催化的脂肪族酸酐与芳基三氟甲磺酸酯的脱羧烷基化反应。这种新颖的方法提供了构建Csp 2 -Csp 3键的便捷途径。此外，该方法可与多种官能团兼容，并具有良好的底物范围。

  DOI：

  10.1016/j.tet.2019.05.070

文献信息

• Carbonylative coupling of aryl tosylates/triflates with arylboronic acids under CO atmosphere
  作者：Cheng Yi Hao、Dan Wang、Ya Wei Li、Lin Lin Dong、Ying Jin、Xiu Rong Zhang、He Yun Zhu、Sheng Chang

  DOI：10.1039/c6ra14678c

  日期：——

  The carbonylative Suzuki–Miyaura reaction between aryl tosylates/triflates with arylboronic acid is herein reported, using base-free conditions and a balloon pressure of carbon monoxide. Under these conditions, unsymmetrical biaryl ketones were obtained in modest to excellent yields. This method was adapted to the synthesis of oxybenzone and ketoprofen in good yields under mild conditions.

  本文报道了在无碱条件和一氧化碳的球囊压力下，芳基甲苯磺酸盐/三氟甲磺酸与芳基硼酸之间的羰基化Suzuki-Miyaura反应。在这些条件下，以中等至极好的收率获得了不对称的联芳基酮。该方法适合在温和条件下以高收率合成氧苯甲酮和酮洛芬。
• Snapshots of a Stille reaction
  作者：Arturo L. Casado、Pablo Espinet、Ana M. Gallego、Jesús M. Martínez-Ilarduya

  DOI：10.1039/b008811k

  日期：——

  The main sequential intermediates involved in a real catalytic cycle of the Stille reaction (the coupling of ROTf with CH2CHSnBu3 catalyzed by [PdR(OTf)(dppe)]; R = aryl) are observed and characterized unequivocally before the coupling product is released.

  实际催化过程中涉及的主要顺序中间体 Stille 反应循环（ROTf 与 [PdR(OTf)(dppe)]催化的CH2CHSnBu3； R= 芳基）在偶联前被明确观察和表征 产品发布。
• NONAQUEOUS ELECTROLYTE SOLUTION AND ENERGY DEVICE USING SAME
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：US20200274199A1

  公开（公告）日：2020-08-27

  The present invention provides an energy device having excellent properties. Also provided is a nonaqueous electrolyte solution containing a compound represented by the following Formula (1), wherein R 11 , R 12 and R 13 each independently represent an organic group having 1 to 3 carbon atoms; and R 11 and R 12 , R 11 and R 13 , or R 12 and R 13 are optionally bound with each other to form a 5-membered ring or a 6-membered ring, with a proviso that a total number of carbon atoms of R 11 , R 12 and R 13 is 7 or less.

  本发明提供了一种具有优异性能的能源装置。同时还提供了一种非水电解质溶液，其中包含由以下式（1）表示的化合物，其中R11、R12和R13各自独立地表示具有1到3个碳原子的有机基团；且R11和R12、R11和R13或R12和R13可以选择地相互结合形成一个5元环或6元环，条件是R11、R12和R13的总碳原子数不超过7。
• Polybiotin Compounds of Magnetic Resonance Imaging and Drug Delivery
  申请人：Elmaleh David R.

  公开号：US20090010845A1

  公开（公告）日：2009-01-08

  The invention relates generally to biotin-containing compounds that are useful as imaging agents and drug-delivery agents. Another aspect of the invention relates to the aforementioned compounds chelated to a metal atom. In a preferred embodiment, the metal atom is a gadolinium. Another aspect of the invention relates to a compound comprising three biotin moieties and a pharmaceutical agent covalently bound to a heterocyclic core. In certain embodiments, the pharmaceutical agent is an antibiotic, antiviral, or radionuclide. Another aspect of the present invention relates to a method of treating disease involving administering the compounds of the invention to a mammal. Another aspect of the present invention relates to a method of acquiring a magnetic resonance image using the compounds of the invention.

  本发明涉及一般用作成像剂和药物传递剂的生物素含量化合物。本发明的另一方面涉及到上述化合物与金属原子螯合的情况。在一个优选实施例中，金属原子是钆。本发明的另一方面涉及到一种化合物，其中包括三个生物素基团和一个共价结合到杂环核心的药物剂。在某些实施例中，药物剂是抗生素，抗病毒药物或放射性核素。本发明的另一方面涉及将本发明的化合物用于治疗疾病的方法。本发明的另一方面涉及使用本发明的化合物获取磁共振图像的方法。
• NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME
  申请人：Ube Industries, Ltd.

  公开号：EP1672729A1

  公开（公告）日：2006-06-21

  The present invention provides a lithium secondary battery which is improved particularly in cycle characteristics. Disclosed is a lithium secondary battery which uses a non-aqueous electrolytic solution obtained by dissolving electrolyte salt in a non-aqueous solvent. The non-aqueous electrolytic solution further contains a pentafluorophenyloxy compound represented by the formula (I), and vinylene carbonate and/or 1,3-propanesultone. In the formula (I), R1 is a substituent selected from the group consisting of an alkylcarbonyl group having 2 to 12 carbon atoms, an alkoxycarbonyl group having 2 to 12 carbon atoms, an aryloxycarbonyl group having 7 to 18 carbon atoms, and an alkanesulfonyl group having 1 to 12 carbon atoms. At least one hydrogen atom of the substituent can be substituted with a halogen atom or an aryl group having 6 to 18 carbon atoms.

  本发明提供了一种锂二次电池，该电池尤其在循环特性方面有所改进。本发明公开了一种锂二次电池，它使用的非水电解溶液是通过将电解质盐溶解在非水溶剂中获得的。该非水电解溶液还含有由式（I）表示的五氟苯氧基化合物、碳酸乙烯酯和/或 1,3-丙磺酸酮。 在式 (I) 中，R1 是一个取代基，选自具有 2 至 12 个碳原子的烷基羰基、具有 2 至 12 个碳原子的烷氧基羰基、具有 7 至 18 个碳原子的芳氧基羰基和具有 1 至 12 个碳原子的烷磺酰基组成的组。取代基中的至少一个氢原子可被卤素原子或具有 6 至 18 个碳原子的芳基取代。