556812-44-3

• 常用中文名：三氟甲烷磺酸2-甲基-6-(三甲基硅基)苯酯
• 常用英文名：2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate
• CAS号：556812-44-3
• 分子式：C₁₁H₁₅F₃O₃SSi
• 分子量：312.381
• 相关类别： 化学试剂 有机试剂 甲苯磺酸酯
• 发布时间：2018-10-23 18:05:02
• 更新时间：2024-01-16 07:41:18

名称

• 中文名: 三氟甲烷磺酸2-甲基-6-(三甲基硅基)苯酯
• 英文名: (2-methyl-6-trimethylsilylphenyl) trifluoromethanesulfonate
• 中文别名: 三氟甲烷磺酸-2-甲基-6-(三甲基硅基)苯酯
• 英文别名: 2-Methyl-6-(trimethylsilyl)phenyl trifluoromethanesulfonate; Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-6-(trimethylsilyl)phenyl ester; m1883

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 299.6±40.0 °C at 760 mmHg
• 分子式: C₁₁H₁₅F₃O₃SSi
• 分子量: 312.381
• 闪点: 135.0±27.3 °C
• 精确质量: 312.046326
• PSA: 51.75000
• LogP: 5.74
• 外观性状: 液体;Colorless to Light yellow clear liquid
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.471
• 储存条件: 存放于惰性气体之中;避免空气
• 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: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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL20 ºC）：1.23

  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（ºC0.35mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（º F）：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（正辛醇/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

2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate SAFETY DATA SHEET Section1. IDENTIFICATION Product name:2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 1 Corrosive to metals HEALTH HAZARDS Category 1B Skin corrosion/irritation Serious eye damage/eye irritationCategory 1 ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordDanger 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. 2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate Percent:>96.0%(GC) CAS Number:556812-44-3 Synonyms:2-Methyl-6-(trimethylsilyl)phenyl Triflate , Trifluoromethanesulfonic Acid 2-Methyl-6- (trimethylsilyl)phenyl Ester , 6-(Trimethylsilyl)-o-tolyl Trifluoromethanesulfonate Chemical Formula:C11H15F3O3SSi Section4. 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. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry 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: Section6. 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. Section7. 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. 2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate Section7. 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. Section8. 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. Section9. 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:1.23 Solubility(ies): [Water]No data available No data available [Other solvents] 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, Sulfur oxides, Silicon oxides 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: No data available IARC = NTP =No data available No data available Reproductive toxicity: 2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available 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 Soil adsorption (Koc):No data available 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 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:8: Corrosive. UN-No:3265 Proper shipping name:Corrosive liquid, acidic, organic, n.o.s. Packing group:II 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. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危险品运输编码: UN 3265 8/PG 2
• 包装等级: II
• 危险类别: 8.0