768-92-3

• 常用中文名：1-氟金刚烷
• 常用英文名：1-Fluoroadamantane
• CAS号：768-92-3
• 分子式：C₁₀H₁₅F
• 分子量：154.225
• 发布时间：2018-05-07 08:00:00
• 更新时间：2024-01-10 20:46:54

名称

• 中文名: 1-氟金刚烷
• 英文名: 1-fluoroadamantane
• 英文别名: 1-fluoroadmantane; MFCD02682106; 1-fluoro-adamantane; Tricyclo[3.3.1.1]decane, 1-fluoro-; 1-Fluoroadamantane; fluoroadamantane; 1-fluoranyladamantane; 1-Adamantyl Fluoride

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 188.8±9.0 °C at 760 mmHg
• 熔点: 225ºC
• 分子式: C₁₀H₁₅F
• 分子量: 154.225
• 闪点: 67.3±11.9 °C
• 精确质量: 154.115784
• LogP: 3.39
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 0.8±0.3 mmHg at 25°C
• 折射率: 1.495
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：42.27

  2、 摩尔体积（cm³/mol）：145.0

  3、 等张比容（90.2K）：341.3

  4、 表面张力（dyne/cm）：30.6

  5、 介电常数：

  6、 偶极距（10^-24cm³）：

  7、 极化率：16.76

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:144

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：225 °C

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

1-Fluoroadamantane Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:1-Fluoroadamantane Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:1-Fluoroadamantane Percent:>98.0%(GC) CAS Number:768-92-3 Synonyms:1-Adamantyl Fluoride Chemical Formula:C10H15F Section4. 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. Rinse skin with water/shower. 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. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry 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. 1-Fluoroadamantane Section5. FIRE-FIGHTING MEASURES 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 protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, 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. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: 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. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: 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. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder Colour:White - Almost white Odour:No data available pH: No data available Melting point/freezing point:257°C No data available Boiling point/range: Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available No data available Relative density: Solubility(ies): No data available [Water] [Other solvents]No data available 1-Fluoroadamantane Section10. 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 products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. 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. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not listed UN-No: Section15. 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. 1-Fluoroadamantane SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2903890090

合成路线

上下游产品

上游产品  10
768-95-6 768-90-1 281-23-2 768-93-4
79057-62-8 828-51-3 7575-82-8 935-56-8
36960-53-9 64-17-5
下游产品  10
768-95-6 74975-65-8 6221-75-6 281-23-2
880-52-4 780-68-7 64154-08-1 2050-77-3
768-93-4 778-24-5

制备

1.制法：

聚氟化氢吡啶(2):干干燥的250mL聚乙烯瓶中，加入吡啶37.5g(0.475mol),干冰-丙酮浴冷却至吡啶固化。加入无水氟化氢87.5（4.37mol），将反应瓶旋动，以促使固体溶解。溶解后可以安全慢慢升温至室温。得聚氟化氢吡啶(2)。1-氟金刚烷(1):于250mL聚乙烯反应瓶中，加入1-金刚烷醇5g(0.033mol),50mL上述聚氟化氢吡啶(2)溶液，室温搅拌3h。加入石油醚150mL，剧烈搅拌反应15min，用聚乙烯分液漏斗分出下层(无机相用大量水破坏)，有机物依次用水50mL、饱和碳酸氢钠溶液50m、水50mL洗涤，无水硫酸镁干燥。减压浓缩，得1-氟金刚烷^①(1)4.5～4.6g,收率88% ～90%。可用升华或用甲醇-四氯化碳重结晶的方法来提纯。注：①利用此方法可以将仲醇、叔醇转化为氟代烃，收率70%～90%。聚氟化氢-吡啶试剂也可以使烯烃、环丙烷、重氮化合物等直接发生氢氟化加成反应，生成有机氟化物。

海关

海关编码	2903890090
中文概述	2903890090. 其他环烷烃、环烯烃或环萜烯烃的卤化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2903890090. halogenated derivatives of cyclanic, cyclenic or cyclotherpenic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%