十四氟-2-甲基戊烷 | 355-04-4

• 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 - 有机卤素化合物 - 有机氟化物
• 中文名称: 十四氟-2-甲基戊烷
• 中文别名: 2-三氟甲基-1,1,1,2,3,3,4,4,5,5,5-十一氟代戊烷；2-三氟甲基全氟戊烷；全氟-2-甲基戊烷
• 英文名称: perfluoroisohexane
• 英文别名: perfluoro-2-methylpentane；4H-undecafluoro-4-trifluoromethyl-pentane；undecafluoro-2-trifluoromethyl-pentane；Undecafluor-2-trifluormethyl-pentan；Tetradecafluorisohexan；1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)pentane
• CAS: 355-04-4
• 化学式: C₆F₁₄
• mdl: MFCD00059905
• 分子量: 338.044
• InChiKey: ROVMKEZVKFJNBD-UHFFFAOYSA-N

物化性质

• 沸点：
  58°C
• 密度：
  1,723 g/cm3
• LogP：
  5.02 at 25℃
• 熔点：
  -119.0 °C

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  2
• 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：
  14

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2903399090
• 安全说明：
  S41

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Tetradecafluoro-2-methylpentane
Portland OR
Synonym Pentane,
1,1,1,2,2,3,3,4,5,5,5-undecafluoro-4-(trifluoromethyl)-
(CA INDEX NAME); Perfluoro-2-methylpentane;
Perfluoroisohexane
C6F14
Chemical Formula
CAS Number 355-04-4

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Section II. Composition and Information on Ingredients
Toxicology Data
Chemical Name CAS Number Percent (%) TLV/PEL
Min. 99.0 (GC) Not available. Not available.
Tetradecafluoro-2-methylpentane 355-04-4

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
May be combustible at high temperature. Auto-Ignition
Flammability
Flash Points Flammable Limits Not available.
Not available.
These products include toxic carbon oxides (CO,CO2), halogenated compounds
Combustion Products
WARNING: Highly toxic HF gas is produced during combustion.
Fire Hazards
Not available.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Tetradecafluoro-2-methylpentane

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Section VI. Accidental Release Measures
Spill Cleanup Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing
any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
Instructions
disposal.

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Section VII. Handling and Storage
Handling and Storage Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
Engineering Controls
threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Liquid. (Clear, colorless.) Solubility
Physical state @ 20°C Not available.
1.73 (water=1)
Specific Gravity
338.04
Molecular Weight Partition Coefficient Not available.
Boiling Point Not available. Vapor Pressure Not available.
Not available. Not available.
Melting Point Vapor Density
Not available. Volatility Not available.
Refractive Index
Not available.
Critical Temperature Not available. Odor
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
Not available.
RTECS Number
Routes of Exposure Eye Contact. Ingestion. Inhalation.
Not available.
Toxicity Data
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Toxic Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
compound.

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Section XII. Ecological Information
Not available.
Ecotoxicity
Environmental Fate Not available.
Continued on Next Page
Tetradecafluoro-2-methylpentane

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Section XIII. Disposal Considerations
Waste Disposal Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
Not a DOT controlled material (United States).
DOT Classification
PIN Number Not applicable.
Proper Shipping Name Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) 206-575-6
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  十四氟-2-甲基戊烷 在 四丁基碘化铵 作用下， 以 四氢呋喃 为溶剂， 生成 1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-ol
  参考文献：
  名称：

  Functionalization of saturated fluorocarbons

  摘要：

  A method is described for transforming perfluoroalkanes and perfluorocycloalkanes bearing tertiary fluorine into perfluoroenolates, which can be variously derivatized. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01312-x
• 作为产物：
  描述：

  2-甲基戊烷 在 cobalt (III) fluoride 作用下， 生成 十四氟-2-甲基戊烷
  参考文献：
  名称：

  Physical Properties of Perfluoro-n-hexane and Perfluoro-2-methylpentane

  摘要：

  DOI：

  10.1021/ja01135a017

文献信息

• METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND
  申请人：RIKEN

  公开号：US20200277243A1

  公开（公告）日：2020-09-03

  Provided is a method for producing a perfluoroalkylated compound at low cost, safely and with high efficiency. A method for producing a perfluoroalkylated compound, comprising reacting a bis(perfluoroalkanoyl) peroxide with a compound having a carbon-carbon unsaturated bond and/or an aromatic ring having a hydrogen atom bonded thereto in the presence of a copper catalyst.

  提供了一种以低成本、安全且高效的方式生产全氟烷基化合物的方法。一种生产全氟烷基化合物的方法，包括在铜催化剂存在下，将双(全氟脂肪酰)过氧化物与含有碳-碳不饱和键和/或芳香环且其中有氢原子与之键合的化合物反应。
• [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。
• Fluorination of polyhalogenated unsaturated compounds with vanadium pentafluoride
  作者：V.V. Bardin、A.A. Avramenko、G.G. Furin、V.A. Krasilnikov、A.I. Karelin、P.P. Tushin、V.A. Petrov

  DOI：10.1016/s0022-1139(00)85033-2

  日期：1990.9

  Vanadium pentafluoride reacts with polyfluorinated and polychlorinated olefins, alkadienes, cycloalkenes and cyclodienes in CFCl3 or without a solvent at −25° to 100°C, forming products of addition of two fluorine atoms across the CC bond.

  五氟化钒在−25°至100°C的温度下或在无溶剂的情况下，在CFCl 3中与多氟化和多氯化烯烃，链二烯，环烯烃和环二烯反应，形成两个通过CC键加成氟原子的产物。
• Explored routes to unknown polyfluoroorganyliodine hexafluorides, RFIF6
  作者：Hermann-Josef Frohn、Vadim V. Bardin

  DOI：10.1016/j.jfluchem.2010.07.005

  日期：2010.10

  Two routes to RFIF6 compounds were investigated: (a) the substitution of F by RF in IF7 and (b) the fluorine addition to iodine in RFIF4 precursors. For route (a) the reagents C6F5SiMe3, C6F5SiF3, [NMe4][C6F5SiF4], C6F5BF2, and 1,4-C6F4(BF2)2 were tested. C6F5IF4 and CF3CH2IF4 were used in route (b) and treated with the fluoro-oxidizers IF7, [O2][SbF6]/KF, and K2[NiF6]/KF. The observed sidestep reactions

  研究了制备R F IF 6化合物的两种途径：（a）在IF 7中用R F取代F，以及（b）在R F IF 4前体中向碘中添加氟。对于路线（a），试剂C 6 F 5 SiMe 3，C 6 F 5 SiF 3，[NMe 4 ] [C 6 F 5 SiF 4 ]，C 6 F 5 BF 2和1,4-C 6 F 4（BF 2）2经过测试。在路线（b）中使用了C 6 F 5 IF 4和CF 3 CH 2 IF 4，并用了氟氧化剂IF 7，[O 2 ] [SbF 6 ] / KF和K 2 [NiF 6 ] / KF进行了处理。 。讨论了在路线（a）和（b）情况下观察到的回避反应。的C相互作用6 ˚F 5的SiX 3（X = Me中，F），C 6 ˚F 5 BF 2，1,4-C 6 ˚F 4（BF 2）2与IF 7仅给出相应的环氟化产物，全氟化环己二烯和环己烯衍生物，而[NMe 4 ] [C 6 F 5 SiF
• [EN] PERFLUOROCARBON-SOLUBLE COMPOUNDS<br/>[FR] COMPOSÉS SOLUBLES DANS DES PERFLUOROCARBONES
  申请人：UNIV SOUTHERN CALIFORNIA

  公开号：WO2005107764A1

  公开（公告）日：2005-11-17

  The invention describes syntheses and purifications of several perfluorocarbon-soluble compounds having a general formula RF - L - X or RF - L - X - L - RF, wherein RF is a perfluorocarbon group, X is a hydrophilic moiety, and L is an amide linkage of general structure -CO-NH-. The invention also provides microemulsions comprising a PFC forming an oil phase, water or aqueous solution forming a water phase, and a PEG-based fluorosurfactant with an HFB (hydrophilic groups to fluorophilic groups balance) value from about 7 to about 13. The invention also provides a method of amidification of a fluorocompound. The method involves mixing perfluoracid chloride of a general formula CnF2n+1COCI with a compound containing an amine group with a general structure R-NH2 under reaction conditions sufficient to obtain a product having a general formula CnF2n+1-CONH-R.

  该发明描述了合成和纯化几种可溶于全氟碳化合物的化合物，其通用式为RF - L - X或RF - L - X - L - RF，其中RF是全氟碳基，X是亲水基团，L是一般结构为-CO-NH-的酰胺键。该发明还提供了微乳液，包括形成油相的PFC，形成水相的水或水溶液，以及具有HFB（亲水基团到亲氟基团平衡）值约为7至13的基于PEG的氟表面活性剂。该发明还提供了一种氟化合物的酰胺化方法。该方法涉及将通用式为CnF2n + 1COCI的全氟酸氯与含有一般结构为R-NH2的胺基团的化合物在足够的反应条件下混合，以获得通用式为CnF2n + 1-CONH-R的产物。

表征谱图