137814-07-4

• 常用中文名：1,2-双[2-甲基苯并[b]噻吩-3-基]-3,3,4,4,5,5-六氟-1-环戊烯(异构体混合物)
• 常用英文名：1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene
• CAS号：137814-07-4
• 分子式：C₂₃H₁₄F₆S₂
• 分子量：468.47800
• 发布时间：2018-12-01 16:59:10
• 更新时间：2024-01-15 12:14:28

名称

• 中文名: 1,2-二[2-甲基苯并[B]噻吩-3-基]-3,3,4,4,5,5-六氟-1-环戊烯
• 英文名: 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene
• 中文别名: 1,2-二(2-甲基苯并噻吩-3-基)-3,3,4,4,5,5-5氟-1-环戊烯; 1,2-双[2-甲基苯并[b]噻吩-3-基]-3,3,4,4,5,5-六氟-1-环戊烯; 1,2-二[2-甲基苯并[B]硫代邻菲罗啉-3-基]-3,3,4,4,5,5-六氟-1-环戊烯; 1,2-双[2-甲基苯并[b]噻吩-3-基]-3,3,4,4,5,5-六氟-1-环戊烯
• 英文别名: 1,2-bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene

物化性质

• 密度: 1.48g/cm3
• 沸点: 506.1ºC at 760 mmHg
• 熔点: 160ºC
• 分子式: C₂₃H₁₄F₆S₂
• 分子量: 468.47800
• 闪点: 259.9ºC
• 精确质量: 468.04400
• PSA: 56.48000
• LogP: 8.56310
• 蒸汽压: 7.24E-10mmHg at 25°C
• 折射率: 1.636
• 储存条件: 室温
• 分子结构:

  1、摩尔折射率：113.4

  2、摩尔体积（cm³/mol）：315.9

  3、等张比容（90.2K）：828.2

  4、表面张力（dyne/cm）：47.2

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：44.95

  7、单一同位素质量：468.04411 Da

  8、标称质量：468 Da

  9、平均质量：468.4777 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:7.6

  2.氢键供体数量:0

  3.氢键受体数量:8

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积56.5

  7.重原子数量:31

  8.表面电荷:0

  9.复杂度:705

  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,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：160

  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

MSDS

1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5- hexafluoro-1-cyclopentene SAFETY DATA SHEET Section1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER Product name:1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene Section2. HAZARDS IDENTIFICATION Classification of the GHS Not classified PHYSICAL HAZARDS HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word Hazard statementNone Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene Component(s): Percent:>97.0%(GC) 137814-07-4 CAS Number: Chemical Formula:C23H14F6S2 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. Get medical advice/attention if you feel unwell. Rinse mouth. Ingestion: Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Take care as it may decompose upon combustion or in high temperatures to Specific hazards: generate poisonous fume. 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]- 3,3,4,4,5,5-hexafluoro-1-cyclopentene Section5. FIRE-FIGHTING MEASURES Specific methods: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 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. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be 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 Solid Physical state (20°C): Form:crystal - powder Color:White - Slightly pale yellow Odor:No data available pH: No data available Melting point/freezing point:160 °C Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:No data available Solubility:Slightly soluble in: THF Section10. STABILITY AND REACTIVITY Stable under proper conditions. Stability: Reactivity:No special reactivity has been reported. Light-sensitive Conditions to avoid: 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]- 3,3,4,4,5,5-hexafluoro-1-cyclopentene Section10. STABILITY AND REACTIVITY Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride, Sulphur oxides Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil No data available log Pow: Soil adsorption (Koc):No data available No data available Henry's Law 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 Does not correspond to the classification standard of the United Nations Hazards Class: UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]- 3,3,4,4,5,5-hexafluoro-1-cyclopentene SECTION 16 - ADDITIONAL INFORMATION N/A

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