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1-氟金刚烷

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
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1-氟金刚烷 基本信息

中文名称：
1-氟金刚烷 
中文别名：
1-氟金刚烷;
tricyclo[3.3.1.1~3,7~]decane, 1-methyl-;
1-methyltricyclo[3.3.1.1~3,7~]decane;
1-Bromotricyclo[3.3.1.1(3,7)]decane;
RARECHEM AQ TC 1019;
1-Bromotricycol[3.3.1.1.(1,7)decane;
Adamantane, 1-bromo-;
Adamantyl bromide;
1-Bromo adamantine;
1-Bromoadamamtane;
1-Bromotricyclo[3.3.1.1(3.7)]decane;
1-Bromoadamantane;
Vinyloxyethanol;
Ethanol, 2-(ethenyloxy)- (9CI);
Ethanol, 2-(vinyloxy)-;
Ethanol, 2-(ethenyloxy)-;
Ethyl 3-ethoxypropionate;
O 
英文名称：
1-Fluoroadamantane
英文别名：
1-FLUOROADAMANTANE;
1-fluoranyladamantane;
1-Adamantyl Fluoride;
1-fluoroadmantane;
1-fluoro-adamantane;
fluoroadamantane 
CAS No.：
768-92-3
分 子 式：
C10H15F
分 子 量：
154.22
精确分子量：
154.11600
PSA：
0.00000
MDL：
MFCD02682106
InChI：
InChI=1/C10H15F/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
分子结构式：
SDS：
查看

1-氟金刚烷 制备方法及用途

制备方法

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。

合成制备方法

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。[1]

用途简介

1-氟金刚烷 物化性质

密度：
1.06g/cm3
熔点：
225ºC
沸点：
188.8ºC at 760 mmHg
闪点：
67.3ºC
折射率：
1.494
其它信息：

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

1-氟金刚烷 安全信息

海关代码：
2903890090
危险标志：
Xi

1-氟金刚烷 MSDS

  1-Fluoroadamantane      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        1-Fluoroadamantane    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
    No signal word
  Signal word
  Hazard statements        None    
    None
  Precautionary statements:
Section 3. 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    
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. 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.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry 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
Section 5. 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 protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. 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.
Section 7. 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.    
Section 8. 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.
Section 9. 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
Section 10. 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:
Section 11. 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:
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):
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.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
    Not listed
  UN-No:
Section 15. 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

1-氟金刚烷 海关数据

中国海关编码：2903890090

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
摘要/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%

1-氟金刚烷 分子结构与计算化学数据

分子结构数据

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

计算化学数据

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

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武汉琼格生物科技有限公司
产品介绍：
产品名称：1-氟金刚烷 Cas号：768-92-3 纯度：>98.0%(GC) 包装信息：1g,1g,1g,1g,1g 价格：2,380.0元 - 2,380.0元
联系方式：
联系人：时燕 电话：027-84235681 手机：13657207535

郑州杰克斯化工有限公司
产品介绍：
产品名称：1-氟金刚烷 Cas号：768-92-3 纯度： 包装信息：洽谈 价格：洽谈
联系方式：
联系人：许伟伟 电话：0371-86259281 15981966935 手机：15981966935

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