九氟戊酸甲酯 | 13038-26-1

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: 九氟戊酸甲酯
• 中文别名: 甲基九氟戊酸酯全氟戊酸甲酯；全氟戊酸甲酯
• 英文名称: methyl perfluoropentanoate
• 英文别名: Perfluorvaleriansaeure-methylester；Methyl Nonafluorovalerate；methyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• CAS: 13038-26-1
• 化学式: C₆H₃F₉O₂
• 分子量: 278.074
• InChiKey: OSDPSOBLGQUCQX-UHFFFAOYSA-N

物化性质

• 沸点：
  103
• 密度：
  1.56
• 保留指数：
  539;538.6

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  11

安全信息

• 危险等级：
  3
• 危险品标志：
  F
• 危险品运输编号：
  3272
• 海关编码：
  2915900090
• 包装等级：
  II
• 危险类别：
  3
• 储存条件：
  室温和干燥环境

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Methyl Nonafluorovalerate
Portland OR
Synonym Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-,
methyl ester (CA INDEX NAME); Methyl
Nonafluoropentanoate; Methyl Perfluoropentanoate;
Methyl Perfluorovalerate; Nonafluorovaleric Acid
Methyl Ester; Perfluorovaleric Acid Methyl Ester
Chemical Formula C6H3F9O2
13038-26-1
CAS Number

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
Methyl Nonafluorovalerate 13038-26-1 Min. 97.0 (GC) Not available. Not available.

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Section III. Hazards Identification
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
Acute Health Effects
eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
occasionally, blistering.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
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
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
Eye Contact
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.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
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.
Auto-Ignition
Flammability May be combustible at high temperature.
Flammable Limits Not available.
Flash Points Not available.
Combustion Products These products are toxic carbon oxides (CO, CO2), halogenated compounds.
WARNING: Highly toxic HF gas is produced during combustion.
Fire Hazards Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
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
Methyl Nonafluorovalerate

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

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Section VII. Handling and Storage
IRRITANT. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a
Handling and Storage
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 ~ light yellow.) Solubility
Physical state @ 20°C Insoluble in water.
1.56 (water=1)
Specific Gravity
Molecular Weight 278.07 Partition Coefficient
Not available.
Boiling Point 102°C (215.6°F) Vapor Pressure Not available.
Not available. Not available.
Melting Point Vapor Density
Refractive Index Not available. Volatility Not available.
Not available. Not available.
Critical Temperature Odor
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
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
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
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.
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye
Acute Toxic Effects
is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or,
occasionally, blistering.
Follow safe industrial hygiene practices and always 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
Methyl Nonafluorovalerate

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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 available.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements R36/37/38- Irritating to eyes, respiratory system and skin.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  九氟戊酸甲酯 在 lithium aluminium tetrahydride 作用下， 生成 1H,1H-九氟-1-戊醇
  参考文献：
  名称：

  疏水作用对光化学和光物理过程的影响：水性有机溶剂中全氟化碳聚集的证据

  摘要：

  氟化烷基-2-萘（NPFC的发射光谱和光二Ñ）和9-蒽甲基perfluoroalkanoates（AnFC Ñ在水-有机溶剂的二进制）进行了研究。NpFC n在二甲亚砜-水混合物（DMSO-H 2 O）中的荧光光谱受准分子发射支配。向溶液中加入长链碳氟化合物可减少受激准分子的发射并增加单体的发射。在NPFC的混合物溶液中的萘部分的有选择性的激励Ñ和AnFC Ñ从AnFC导致强发射Ñ。NpFC n的光辐照产生具有相对高量子产率的“类古巴”光电二聚体。所有这些观察结果表明，疏水相互作用迫使带有长碳氟化合物链的分子在水性有机二元溶剂中形成聚集体。

  DOI：

  10.1039/ft9959102761
• 作为产物：
  描述：

  全氟-(1-戊基哌啶) 在 硫酸 作用下， 生成 九氟戊酸甲酯
  参考文献：
  名称：

  Mazalov,S.A.; Sokolov,S.V., Journal of general chemistry of the USSR, 1966, vol. 36, p. 1344 - 1350

  摘要：

  DOI：

文献信息

• SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20190137873A1

  公开（公告）日：2019-05-09

  The present invention can provide a salt and a resist composition including the salt, capable of producing a resist pattern with satisfactory line edge roughness (LER). A salt represented by formula (I): wherein R 1 and R 2 each represent a chain hydrocarbon group which may have a substituent, an alicyclic hydrocarbon group which may have a substituent or an aromatic hydrocarbon group which may have a substituent, or R 1 and R 2 are bonded each other to form a ring together with sulfur atoms to which they are bonded, R 3 , R 4 and R 5 each independently represent a hydrogen atom, a fluorine atom or a hydrocarbon group having 1 to 12 carbon atoms, —CH 2 — included in the hydrocarbon group may be replaced by —O— or —CO—, and A − represents a counter anion.

  本发明提供了一种盐和包括该盐的抗蚀剂组合物，能够产生具有令人满意的线边粗糙度（LER）的抗蚀图案。该盐由式（I）表示：其中R1和R2各代表可能具有取代基的链烃基，可能具有取代基的脂环烃基或可能具有取代基的芳香烃基，或者R1和R2彼此相连以形成与它们结合的硫原子一起的环，R3、R4和R5各自独立地表示氢原子、氟原子或具有1至12个碳原子的烃基，烃基中包括的—CH2—可以被—O—或—CO—所取代，A-表示反离子。
• Mass spectra of hydrazides and alkylhydrazides or fluorinated alkanecarboxylic acids
  作者：V.A. Lopyrev、L.V. Klyba、E.N. Medvedeva、V.Yu. Vitkovskii、T.I. Yushmanova、M.G. Voronkov

  DOI：10.1016/s0022-1139(00)85071-x

  日期：1986.12

  Main pathways in the electron-impact induced mass spectrometric fragmentation of hydrazides and alkylhydrazides of alkanecarboxylic acids have been studied. The effect of the structure of fluorinated acyl group and hydrocarbon radical on the dissociation mode has been established.

  已经研究了链烷羧酸的酰肼和烷基酰肼的电子碰撞诱导质谱裂解的主要途径。建立了氟化酰基和烃基结构对离解方式的影响。
• SALT, QUENCHER, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20200159116A1

  公开（公告）日：2020-05-21

  A salt is represented by formula (I). In formula (I), R 1 , R 2 and R 3 each independently represent a halogen atom, a perfluoroalkyl group having 1 to 6 carbon atoms or a hydrocarbon group having 1 to 12 carbon atoms, and —CH 2 — included in the hydrocarbon group may be replaced by —O— or —CO—, m1 represents an integer of 0 to 4, and when m1 is 2 or more, a plurality of R 1 may be the same or different from each other, m2 represents an integer of 0 to 4, and when m2 is 2 or more, a plurality of R 2 may be the same or different from each other, and m3 represents an integer of 0 to 4, and when m3 is 2 or more, a plurality of R 3 may be the same or different from each other.

  盐由化学式（I）表示。在化学式（I）中，R1、R2和R3分别代表卤素原子、具有1至6个碳原子的全氟烷基基团或具有1至12个碳原子的碳氢基团，而包含在碳氢基团中的—CH2—可以被—O—或—CO—替代，m1表示0至4的整数，当m1为2或更多时，多个R1可能相同或不同，m2表示0至4的整数，当m2为2或更多时，多个R2可能相同或不同，m3表示0至4的整数，当m3为2或更多时，多个R3可能相同或不同。
• SALT, QUENCHER, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN, AND METHOD FOR PRODUCING SALT
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20200385343A1

  公开（公告）日：2020-12-10

  Disclosed are a salt represented by formula (1), and a method for producing the salt, and a quencher and a resist composition comprising the same: wherein R 1 and R 2 each represent a hydrocarbon group, and —CH 2 — included in the hydrocarbon group may be replaced by —O— or —CO—; R 3 , R 4 and R 5 each represent a halogen atom, an alkyl fluoride group or a hydrocarbon group, and —CH 2 — included in the hydrocarbon group may be replaced by —O— or —CO—; m3 represents an integer of 0 to 2, and when m3 is 2, two R 3 may be the same or different from each other; and m4 and m5 represent an integer of 0 to 5, and when m4 and/or m5 is/are 2 or more, a plurality of R 4 and/or a plurality of R 5 may be the same or different from each other.

  揭示了一种由化学式（1）表示的盐，以及生产该盐的方法，以及包括该盐的熄灭剂和抗蚀组合物：其中R1和R2分别代表一个碳氢基团，碳氢基团中包含的—CH2—可以被—O—或—CO—替代；R3、R4和R5分别代表卤素原子、烷基氟基团或碳氢基团，碳氢基团中包含的—CH2—可以被—O—或—CO—替代；m3表示0到2的整数，当m3为2时，两个R3可能相同也可能不同；m4和m5表示0到5的整数，当m4和/或m5为2或更多时，多个R4和/或多个R5可能相同也可能不同。
• Systematic elucidation of crystal structure of fluorinated gemini-type diamide derivatives having different lengths with thixotropic induced-ability to solvents
  作者：Haruka Maruyama、Keito Fukushi、Rei Okano、Eiichi Satou、Tomoko Yajima、Atsuhiro Fujimori

  DOI：10.1016/j.jfluchem.2020.109505

  日期：2020.5

  using reciprocal lattice analysis. Diamide derivatives with two fluorocarbons, in which the linker was replaced with one hexamethylene chain and one pentamethylene chain, exhibited hydrogen bonding and crystallinity. Powder X-ray diffraction profiles displayed extremely sharp diffraction peaks like inorganic materials. Small-angle X-ray scattering analysis indicated extended chain crystals (ECCs) in

  使用倒易晶格分析系统地确定了具有不同接头和氟代烷基链长度的双子座型二酰胺衍生物的分子堆积结构。具有两个碳氟化合物的双酰胺衍生物表现出氢键和结晶性，其中连接子被一个六亚甲基链和一个五亚甲基链取代。粉末X射线衍射图谱显示出像无机材料一样非常尖锐的衍射峰。小角X射线散射分析表明这些分子组中的延伸链晶体（ECC）。相互的晶格分析和高结晶度允许开发本研究中使用的所有化合物的堆积模型。除一种例外，将十五种化合物分配给近斜方和/或轻微扭曲的单斜系统。c轴并具有可以容纳碳氟化合物链的ab平面区域。这些氟化的双子座型二酰胺衍生物是添加分子的候选物，以诱导溶剂触变性并通过分子间氢键形成结晶纳米纤维。发现分子链堆积与晶体生长之间存在相关性。还证实了通过结合溶剂分子而允许凝胶形成的螺旋生长模式。