三甲基硅基乙炔基(苯基)碘鎓四氟硼酸

三甲基硅基乙炔基(苯基)碘鎓四氟硼酸 基本信息
CAS号 127783-36-2 分子式 C11H14BF4ISi
分子量 388.02300 精确质量  387.99400
PSA  0.00000 LogP  1.08350

基本信息 展开↓

CAS号:
127783-36-2
分子式:
C11H14BF4ISi
分子量:
388.02300
中文名称:
三甲基硅基乙炔基(苯基)碘鎓四氟硼酸
英文名称:
Phenyl(trimethylsilylethynyl)iodonium Tetrafluoroborate
中文别名:
三甲基硅基乙炔基(苯基)碘鎓四氟硼酸;
四氟硼酸化(2-三甲基硅基乙炔基)苯基碘;
三甲基硅基乙炔基(苯基)四氟硼酸碘鎓
英文别名:
Phenyl(trimethylsilylethynyl)iodonium Tetrafluoroborate;
TriMethylsilylethynyl(phenyl)iodoniuM Tetrafluoroborate;
phenyl(2-trimethylsilylethynyl)iodanium,tetrafluoroborate
精确分子量/精确质量:
387.99400
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。

物化性质展开↓

存储条件/存储方法:

密封、冷藏保存

其它信息:

1.        性状:未确定

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):未确定

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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

安全信息展开↓

安全说明:
S16-S17-S36-S37-S39
安全标志:
S16:远离火源。
S17:远离可燃物质。
:

MSDS 展开↓

  Trimethylsilylethynyl(phenyl)iodonium      Revision number: 5    
  Tetrafluoroborate
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Trimethylsilylethynyl(phenyl)iodonium Tetrafluoroborate    
                  
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 1
  Flammable solids
  HEALTH HAZARDS
    Category 4
  Acute toxicity (Oral)
  Skin corrosion/irritation        Category 1B    
  Serious eye damage/eye irritation        Category 1    
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Danger
  Signal word
  Hazard statements        Flammable solid    
    Harmful if swallowed
    Causes severe skin burns and eye damage
  Precautionary statements:
  [Prevention]        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    Use explosion-proof electrical/ventilating/lighting equipment.
    Do not breathe dust/fume/gas/mist/vapours/spray.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
  [Storage]        Store locked up.    
  Trimethylsilylethynyl(phenyl)iodonium
  Tetrafluoroborate

Section 2. HAZARDS IDENTIFICATION
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Trimethylsilylethynyl(phenyl)iodonium Tetrafluoroborate    
    >98.0%(T)
  Percent:
  CAS Number:        127783-36-2    
    Phenyl(trimethylsilylethynyl)iodonium Tetrafluoroborate
  Synonyms:
  Chemical Formula:        C11H14BF4ISi    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
    Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
  Ingestion:
    induce vomiting.
  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 Explosion risk in case of fire. Fight fire remotely due to the risk of explosion.
    Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:
    generate poisonous fume.
  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: Keep containers cool by
    spraying with water. Eliminate all ignition sources 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
  Personal precautions,        Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep    
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by 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.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Trimethylsilylethynyl(phenyl)iodonium
  Tetrafluoroborate

Section 7. HANDLING AND STORAGE
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Be careful not to cause leakage, overflow, or dispersion. Steam should not be
    generated unnecessarily. Keep away from heat/sparks/open flame/hot surfaces. -No
    smoking. Take measures to prevent the build up of electrostatic charge. Use
    explosion-proof equipment. Avoid shock and friction. Wash hands and face before
    breaks and immediately after handling the product.
    Use a closed system if possible. 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 an explosion-poof freezer.    
    Store under inert gas.
    Protect from moisture.
    Store locked up.
    Be sure not to give the container unexpected impacts, such as falling down or falling
    off.
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive, Moisture-sensitive, Air-sensitive
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
  Hand protection:        Impervious gloves.    
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
  Colour:        Very pale yellow - Greyish yellow red    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous May explosively decompose on heating, shock, friction, etc.
  reactions:
  Conditions to avoid:        Heat, Spark, Open flame, Static discharge, Shock, Friction    
  Incompatible materials: Oxidizing agents, Reducing agents, Strong acids, Combustibles, Organic substances
  Trimethylsilylethynyl(phenyl)iodonium
  Tetrafluoroborate

Section 10. STABILITY AND REACTIVITY
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen Iodide, Boron oxides , Hydrogen
  products:        fluoride, Silicon oxides    

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  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    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  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 and an expert of disposal. You may be able
    to dissolve or mix material with a combustible solvent and little by little burn in a chemical incinerator equipped with
    an afterburner and scrubber system. If a large amount of the substance is burned at a time, an explosion may
    occur. Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
    4.1: Flammable solid.
  Hazards Class:
  Subsidiary risk:        8: Corrosive.    
    2925
  UN-No:
  Proper shipping name:        Flammable solid, corrosive, organic, n.o.s.    
  Packing group:        II    

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.
  Trimethylsilylethynyl(phenyl)iodonium
  Tetrafluoroborate


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:387.993855 Da

8、标称质量:388 Da

9、平均质量:388.0234 Da

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:5

4.可旋转化学键数量:3

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:18

8.表面电荷:0

9.复杂度:228

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:2

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