4-氨基九氟联苯 | 969-25-5

• 物质功能分类: 有机原料 - 有机氟化合物
• 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: 4-氨基九氟联苯
• 英文名称: 4-aminononafluorobiphenyl
• 英文别名: 4-NH2-C6F4C6F5；4-Amino-nonafluor-biphenyl；4-Amino-nonafluorbiphenyl；2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)aniline
• CAS: 969-25-5
• 化学式: C₁₂H₂F₉N
• mdl: MFCD00671483
• 分子量: 331.14
• InChiKey: DVKUPHGYOMHVDR-UHFFFAOYSA-N

物化性质

• 熔点：
  146 °C
• 沸点：
  242.9±35.0 °C(Predicted)
• 密度：
  1.699±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲苯

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  10

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2921499090
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

SDS

4-Aminononafluorobiphenyl Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 4-Aminononafluorobiphenyl

Revision number: 1

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
Pictograms or hazard symbols
Signal word Warning
Hazard statement Causes skin irritation
Causes serious eye irritation
Precautionary statements
[Prevention] Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF IN EYES: 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.
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
Component(s): 4-Aminononafluorobiphenyl
Percent: >96.0%(GC)
CAS Number: 969-25-5
Chemical Formula: C12H2F9N

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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.
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.
4-Aminononafluorobiphenyl

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Section 4. FIRST AID MEASURES
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.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: 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 Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Storage
Keep container tightly closed. Store in a cool and dark place.
Storage conditions:
Store away from incompatible materials such as oxidizing agents.
Law is followed.
Packaging material:

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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: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
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): Solid
Form: crystal - powder
Color: White - Very pale yellow
Odor: No data available
pH: No data available
Melting point/freezing point:146 °C
Boiling Point/Range: No data available
4-Aminononafluorobiphenyl

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Flash Point: No data available
Explosive limits
Lower: No data available
No data available
Upper:
Density: No data available
Soluble in : Toluene
Solubility:

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
Reactivity: No special reactivity has been reported.
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride
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):
Mobillity 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. 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 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
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): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
4-Aminononafluorobiphenyl

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氨基九氟联苯 在 ammonium hydroxide 作用下， 生成 4,4'-二氨基八氟联苯
  参考文献：
  名称：

  340.五氟苯基溴化镁与五氟硝基苯在四氢呋喃中的反应

  摘要：

  DOI：

  10.1039/jr9650001864
• 作为产物：
  描述：

  溴五氟苯 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 4-氨基九氟联苯
  参考文献：
  名称：

  芳香多氟化合物-XXVIII：五氟苯基阴离子的进一步反应

  摘要：

  DOI：

  10.1016/0040-4020(66)80006-6

文献信息

• Visible‐Light‐Mediated Selective Arylation of Cysteine in Batch and Flow
  作者：Cecilia Bottecchia、Maarten Rubens、Smita B. Gunnoo、Volker Hessel、Annemieke Madder、Timothy Noël

  DOI：10.1002/anie.201706700

  日期：2017.10.2

  Chemical modifications of peptides: The mild visible-light-mediated arylation of cysteine relies on the use of eosin Y as a metal-free photocatalyst and aryldiazonium salts as arylating agents. The batch and flow protocol afforded a series of arylated cysteine derivatives and arylated cysteine-containing dipeptides. A model peptide has been chemoselectively arylated under biocompatible reaction conditions

  肽的化学修饰：半胱氨酸的温和可见光介导的芳基化依赖于曙红Y作为无金属的光催化剂和芳基重氮盐作为芳基化剂的使用。分批和流动方案提供了一系列芳基化的半胱氨酸衍生物和含芳基化的半胱氨酸的二肽。模型肽已在生物相容性反应条件下化学选择性芳基化。
• Selective mono-and diamination of polyfluorinated benzenes and pyridines with liquid ammonia
  作者：T. A. Vaganova、S. Z. Kusov、V. I. Rodionov、I. K. Shundrina、E. V. Malykhin

  DOI：10.1007/s11172-007-0351-2

  日期：2007.11

  decafluoro-m-xylene, decafluorobiphenyl, hexafluorobenzene, and pentafluorobenzene with liquid ammonia was investigated. Bis-aminodefluorination temperatures for the majority of substrates were shown to exceed significantly the corresponding temperatures of monoaminodefluorination. The optimal conditions for selective preparation of mono-and diaminopolyfluoro(het)arenes were elucidated. An efficient method for

  五氟吡啶、2,3,5,6-四氟吡啶、4-氯四氟吡啶、3,5-二氯三氟吡啶、八氟甲苯、α,α,α,2,3,5,6-七氟甲苯、十氟间二甲苯、十氟联苯的胺化，六氟苯和五氟苯与液氨进行了研究。大多数底物的双氨基脱氟化温度显着超过单氨基脱氟化的相应温度。阐明了选择性制备单和二氨基多氟（杂）芳烃的最佳条件。提出了一种从五氟苯和六氟苯与氨水基于与冠醚络合的非选择性反应中形成的产物混合物中分离特定多氟苯二胺的有效方法。
• Reversible C−C Bond Cleavage of a Cobalt Diketimide into an Elusive Cobalt Aryl Nitrenoid Complex
  作者：Yunjung Baek、Theodore A. Betley

  DOI：10.1002/anie.202115437

  日期：2022.4.19

  A CoII diketimide complex was synthesized via an oxidative group transfer reaction of an aryl azide with a CoI synthon supported by a sterically demanding (TrL) dipyrrin ligand. Kinetic analysis established a pre-equilibrium between the diketimide and its monomeric Co aryl nitrenoid complex that is competent for intermolecular H-atom abstraction.

  Co II双酮酰亚胺络合物是通过芳基叠氮化物与 Co I合成子的氧化基团转移反应合成的，Co I 合成子由空间要求高的 ( Tr L) 双吡啶配体支持。动力学分析在双酮酰亚胺与其单体 Co 芳基亚硝基络合物之间建立了预平衡，该络合物能够进行分子间 H 原子提取。
• Nitrogen-containing group-13 anionic compounds for olefin polymerization
  申请人：——

  公开号：US20030083515A1

  公开（公告）日：2003-05-01

  The invention addresses an composition of matter comprising a cation [Ct] + and an anion [A] − , the anion comprises a core Group-13 element bound to partially or completely fluorinated fluoroaryl ligands, at least one of the fluoroaryl ligands is substituted with a Group-15 element that has been rendered essentially inert for subsequent chemical reaction through its unbonded electron pair by substituting an electron-withdrawing group on it. [Ct] + may be selected from anilinium and ammonium cations, trityl carbenium cations, Group-11 metal cations, silylium cations, the cations of the hydrated salts of Group-1 or -2 metals, and derivatives of the foregoing anilinium, ammonium, trityl carbenium, and silylium cations containing C 1 -C 20 hydrocarbyl, hydrocarbylsilyl, or hydrocarbylamine substituents for one or more hydrogen atoms of said cations. The compositions can be used to activate olefin polymerization catalysts, and can be prepared to dissolve in aliphatic solvents. Syntheses and polymerization are illustrated.

  本发明涉及一种由阳离子 [Ct&rsqb； 和阴离子 和阴离子 [A&rsqb； - 其中阴离子包括与部分或完全氟化的氟芳基配位体结合的核心 13 族元素，氟芳基配位体中至少有一个被 15 族元素取代，该 15 族元素通过取代其上的无键电子对上的一个吸电子基团而使其在随后的化学反应中基本呈惰性； &plus； 可选自氨和铵阳离子、氨三苄阳离子、第 11 族金属阳离子、水铵阳离子、第 1 或第 2 族金属的水合盐阳离子，以及上述氨、铵、氨三苄和水铵阳离子的衍生物，这些衍生物含有 C 1 -C 20 烃基、烃基硅基或烃基胺取代基的阳离子衍生物。这些组合物可用于活化烯烃聚合催化剂，并能溶解在脂肪族溶剂中。图解说明了合成和聚合过程。
• Processes for solubilizing organometallic compounds in fluorinated solvents by addition of a partly fluorinated non-catalytic co-solubilizer
  申请人：Gervasi J. David

  公开号：US20050113244A1

  公开（公告）日：2005-05-26

  A process for solubilizing an organometallic compound in a fluorinated solvent to form an organometallic solution by adding and reacting a co-solubilizer having a partly fluorinated polymer, an organometallic compound, and a fluorinated solvent, and the co-solubilizer has the ability to cause the organometallic compound to become miscible in a fluorinated solvent, and further, the co-solubilizer is not a catalyst and is present in the final organometallic solution.

  一种将有机金属化合物溶解在含氟溶剂中以形成有机金属溶液的工艺，其方法是加入具有部分含氟聚合物、有机金属化合物和含氟溶剂的助溶剂并使之反应，且助溶剂具有使有机金属化合物在含氟溶剂中混溶的能力，此外，助溶剂不是催化剂，并存在于最终的有机金属溶液中。

表征谱图