Alpha-羟基-七氟萘 | 5386-30-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: Alpha-羟基-七氟萘
• 中文别名: Α-羟基-七氟萘；α-羟基-七氟萘
• 英文名称: 1-perfluoronaphthol
• 英文别名: 1-hydroxyheptafluoronaphthalene；heptafluoro-α-naphthol；α-heptafluoronaphthol；heptafluoro-1-naphthole；heptafluoro-1-naphthol；1-heptafluoronaphthol；2,3,4,5,6,7,8-Heptafluoronaphthalen-1-ol
• CAS: 5386-30-1
• 化学式: C₁₀HF₇O
• mdl: MFCD00143582
• 分子量: 270.106
• InChiKey: ODAJDDMWMREWGL-UHFFFAOYSA-N

物化性质

• 熔点：
  103-107 °C
• 沸点：
  306.9±37.0 °C(Predicted)
• 密度：
  1.5916 (estimate)
• 稳定性/保质期：
  常温常压下稳定，避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  8

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2908199090

SDS

Name:	alpha-Hydroxy-heptafluoronaphthalene 98% Material Safety Data Sheet
Synonym:	1-Naphthalenol, 2,3,4,5,6,7,8-heptafluoro-; 1-Naphthol, 2,3,4,5,6,7,8-heptafluoro-; 1-Naphthol, heptafluoro-; Heptafluoro-1-naphthol; Perfluoro-1-naphthol
CAS:	5386-30-1

Section 1 - Chemical Product MSDS Name:alpha-Hydroxy-heptafluoronaphthalene 98% Material Safety Data Sheet
Synonym:1-Naphthalenol, 2,3,4,5,6,7,8-heptafluoro-; 1-Naphthol, 2,3,4,5,6,7,8-heptafluoro-; 1-Naphthol, heptafluoro-; Heptafluoro-1-naphthol; Perfluoro-1-naphthol

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5386-30-1	alpha-Hydroxy-heptafluoronaphthalene	98	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Dusts at sufficient concentrations can form explosive mixtures with air. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Separate from oxidizing materials.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 5386-30-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 104.00 - 106.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10HF7O
Molecular Weight: 270.10

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, fluoride fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5386-30-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
alpha-Hydroxy-heptafluoronaphthalene - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 5386-30-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5386-30-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5386-30-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Alpha-羟基-七氟萘 生成 1-Chloroheptafluoronaphthalene
  参考文献：
  名称：

  Klimenko,L.S. et al., Journal of Organic Chemistry USSR (English Translation), 1979, vol. 15, p. 130 - 135

  摘要：

  DOI：
• 作为产物：
  描述：

  octafluoronaphtalene-1,4-sultone 在 HBr 作用下， 以 乙醚 为溶剂， 以82%的产率得到Alpha-羟基-七氟萘
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.2, 1.3.2, page 99 - 119

  摘要：

  DOI：

文献信息

• Catalytic Defluorination of Perfluorinated Aromatics under Oxidative Conditions Using N-Bridged Diiron Phthalocyanine
  作者：Cédric Colomban、Evgenij V. Kudrik、Pavel Afanasiev、Alexander B. Sorokin

  DOI：10.1021/ja505437h

  日期：2014.8.13

  [(Pc)(F)Fe(IV)(μ-N)Fe(IV)(F)(Pc(+•))], which was isolated and characterized by UV-vis, EPR, (19)F NMR, Fe K-edge EXAFS, XANES, and Kβ X-ray emission spectroscopy, ESI-MS, and electrochemical techniques. A wide range of per- and polyfluorinated aromatics (21 examples), including C6F6, C6F5CF3, C6F5CN, and C6F5NO2, were defluorinated with high conversions and high turnover numbers. [(Pc)Fe(III)(μ-N)Fe(IV)(Pc)]

  碳氟键是有机化学中最强的单键，这使得通常与有机金属和还原方法相关的活化和裂解特别困难。我们在此描述了在温和条件下（氢）催化的多氟和全氟芳烃的有效脱氟，由 μ-硝基二铁酞菁配合物 [(Pc)Fe(III)(μ-N)Fe(IV)(Pc)] 催化。过氧化物作为氧化剂，接近环境温度）。该反应通过与氟化物轴向配体 [(Pc)(F)Fe(IV)(μ-N)Fe(IV)(F)(Pc(+•) )]，通过 UV-vis、EPR、(19)F NMR、Fe K-edge EXAFS、XANES 和 Kβ X 射线发射光谱、ESI-MS 和电化学技术对其进行分离和表征。包括 C6F6、C6F5CF3、C6F5CN 和 C6F5NO2 在内的各种全氟和多氟芳烃（21 个例子）都以高转化率和高转化率脱氟。固定在碳载体上的 [(Pc)Fe(III)(μ-N)Fe(IV)(Pc)] 在水中的非均相脱氟中显示出更高的催化活性，每个催化剂分子提供高达
• Alkaline metal fluorides in graphite - new catalysts in organic synthesis. I. Reactions of polyfluoroaromatic compounds with O- and N-nucleophilic agents
  作者：V.V. Aksenov、V.M. Vlasov、V.I. Danilkin、P.P. Rodionov、G.N. Shnitko

  DOI：10.1016/s0022-1139(00)81559-6

  日期：1990.1

  The paper reports the use of new catalysts - alkaline metal fluorides in graphite of the general formula C8MF, where M=Li, Na, K, Rb or Cs, in the reactions of polyfluoroaromatic compounds with aromatic OH-acids and piperidine. These compounds are shown to have a high activity in the above processes, exceeding that of similar free fluorides of alkaline metals.

  该论文报道了在多氟芳族化合物与芳族羟基酸和哌啶的反应中，使用新型催化剂-通式C 8 MF的石墨中的碱金属氟化物，其中M = Li，Na，K，Rb或Cs。这些化合物在上述方法中显示出高活性，超过了碱金属的类似游离氟化物的活性。
• Oxidation of perfluoronaphthols by lead tetraacetate and lead dioxide
  作者：V.N. Kovtonyuk、L.S. Kobrina、G.G. Yakobson

  DOI：10.1016/s0022-1139(00)82675-5

  日期：1981.10

  Depending on the reaction conditions, oxidation of perfluoronaphthols by Pb(OAc)4 proceeds by two routes. Under mild conditions (20°C) oxidation leads to the products of dimerisation of perfluoronaphthoxy radicals. At a higher temperature (80°C) the reaction leads to acetoxydienones. The mechanistic aspects of oxidation of perfluoronaphthols by Pb(OAc)4 are discussed.

  取决于反应条件，Pb（OAc）4对全氟萘的氧化有两种途径。在温和的条件下（20°C），氧化导致全氟萘氧基自由基的二聚化产物。在更高的温度（80°C）下，反应生成乙酰氧基二壬烯。讨论了Pb（OAc）4氧化全氟萘的机理。
• Process for producing compound, catalyst component for addition polymerization, process for producing catalyst for addition polymerization, and process for producing addition polymer
  申请人：Oshima Hideki

  公开号：US20050222351A1

  公开（公告）日：2005-10-06

  There are provided (1) a process for producing a compound, which comprises the step of contacting a compound (A) defined by the formula, M 1 L 1 3 , a compound (B) defined by the formula, R 1 t-1 TH, and a compound (C) defined by the formula, R 2 t-2 TH 2 ; (2) a catalyst component for addition polymerization, which comprises a compound produced by said process; (3) a process for producing a polymerization catalyst, which comprises the step of contacting said catalyst component with a transition metal compound and an optional organoaluminum compound; and (4) a process for producing an addition polymer, which comprises the step of addition polymerizing an addition polymerizable monomer in the presence of a catalyst produced by said process.

  提供以下内容：（1）生产化合物的过程，包括将由M1L13公式定义的化合物（A）、由R1t-1TH公式定义的化合物（B）和由R2t-2TH2公式定义的化合物（C）接触的步骤；（2）用于加成聚合的催化剂组分，包括通过上述过程产生的化合物；（3）生产聚合催化剂的过程，包括将催化剂组分与过渡金属化合物和可选的有机铝化合物接触的步骤；（4）生产加成聚合物的过程，包括在上述过程产生的催化剂存在下加成聚合可聚合单体的步骤。
• TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION
  申请人：HANAOKA Hidenori

  公开号：US20110319578A1

  公开（公告）日：2011-12-29

  A transition metal compound represented by the formula (1-1) or the formula (1-2) (M is a transition metal atom) and a process for producing a catalyst for olefin polymerization comprising a step of bringing the transition metal compound into contact with a co-catalytic component for activation.

  一种由化学式(1-1)或化学式(1-2)所代表的过渡金属化合物（其中M是一种过渡金属原子）和制备催化剂的方法，包括将该过渡金属化合物与协同催化剂成分接触以激活的步骤。