4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸

  • 基本信息
  • 物化性质
  • MSDS
  • 结构与计算化学
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  • 下游产品

4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸 基本信息

中文名称:
4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸 
中文别名:
三氟甲烷磺酸4-甲基-2-(三甲基硅基)苯酯;
4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸;
三氟甲烷磺酸-4-甲基-2-(三甲基硅基)苯酯 
英文名称:
Methanesulfonic acid,1,1,1-trifluoro-, 4-methyl-2-(trimethylsilyl)phenyl ester
英文别名:
(4-methyl-2-trimethylsilylphenyl) trifluoromethanesulfonate;
4-Methyl-2-(triMethylsilyl)phenyl TrifluoroMethanesulfonate;
2-trimethylsilyl-4-methylphenyl triflate;
4-Methyl-2-(trimethylsilyl)phenyl Triflate;
Trifluoromethanesulfonic Acid 4-Methyl-2-(trimethylsilyl)phenyl Ester;
2-(Trimethylsilyl)-p-tolyl Trifluoromethanesulfonate 
CAS No.:
262373-15-9
分 子 式:
C11H15F3O3SSi
分 子 量:
312.38
精确分子量:
312.04600
PSA:
51.75000
InChI:
The Key: SKLVYEYSGSTOFD-UHFFFAOYSA-N
分子结构式:
SDS:
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4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸 物化性质

密度:
1.22
沸点:
300.767ºC at 760 mmHg
闪点:
135.699ºC
折射率:
1.471
蒸汽压:
0.002mmHg at 25°C
其它信息:

1.      性状:未确定

2.      密度(g/mL):1.22

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(ºC1mmHg):未确定

7.      折射率:未确定

8.      闪点(º C1mmHg):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,):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

4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸 MSDS

  4-Methyl-2-(trimethylsilyl)phenyl      Revision number: 5    
  Trifluoromethanesulfonate
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        4-Methyl-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate    
                  
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 1
  Corrosive to metals
  HEALTH HAZARDS
    Category 1B
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1    
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
    May be corrosive to metals
  Hazard statements
    Causes severe skin burns and eye damage
  Precautionary statements:
  [Prevention]        Keep only in original container.    
    Do not breathe dust/fume/gas/mist/vapours/spray.
    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.
    Absorb spillage to prevent material damage.
  [Storage]        Store locked up.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
  4-Methyl-2-(trimethylsilyl)phenyl
  Trifluoromethanesulfonate

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        4-Methyl-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate    
  Percent:        >98.0%(GC)    
  CAS Number:        262373-15-9    
  Synonyms:        4-Methyl-2-(trimethylsilyl)phenyl Triflate , Trifluoromethanesulfonic Acid 4-Methyl-2-    
    (trimethylsilyl)phenyl Ester , 2-(Trimethylsilyl)-p-tolyl Trifluoromethanesulfonate
  Chemical Formula:        C11H15F3O3SSi    

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.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    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:
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising 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: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use extra personal protective equipment (self-contained breathing apparatus). Keep    
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
    Use corrosive resistant equipment.
  4-Methyl-2-(trimethylsilyl)phenyl
  Trifluoromethanesulfonate

Section 7. HANDLING AND STORAGE
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store under inert gas.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Air-sensitive
  Packaging material:        Comply with laws. Keep only in original container.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Half or full facepiece 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.    
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
    Clear
  Form:
  Colour:        Colorless - Slightly pale yellow    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        1.22    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]

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, Sulfur oxides, Silicon oxides
  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:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:
  4-Methyl-2-(trimethylsilyl)phenyl
  Trifluoromethanesulfonate

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):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  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 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:        8: Corrosive.    
  UN-No:        3265    
  Proper shipping name:        Corrosive liquid, acidic, 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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸 分子结构与计算化学数据

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:6

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51.8

7.重原子数量:19

8.表面电荷:0

9.复杂度:408

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

4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸 上游产品

4-甲基-2-(三甲基硅烷基)苯基三氟甲磺酸 下游产品

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