349-59-7

• 常用中文名：3,5-双(三氟甲基)苯乙烯
• 常用英文名：3,5-Bis(trifluoromethyl)styrene
• CAS号：349-59-7
• 分子式：C₁₀H₆F₆
• 分子量：240.145
• 发布时间：2018-07-26 16:47:34
• 更新时间：2024-01-21 21:37:53

名称

• 中文名: 3,5-二(三氟甲基)苯乙烯
• 英文名: 1-ethenyl-3,5-bis(trifluoromethyl)benzene
• 中文别名: 3,5-双(三氟甲基)苯乙烯; 3,5-二三氟甲基苯乙烯
• 英文别名: FXFFR C1U1 EXFFF; 1-Ethenyl-3,5-bis(trifluoromethyl)benzene; 3,5-Bis(trifluoromethyl)styrene; Benzene, 1-ethenyl-3,5-bis(trifluoromethyl)-; 1,3-Bis(trifluoromethyl)-5-vinylbenzene; 3,5-Bis-trifluormethyl-styrol; MFCD00075538

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 164.2±35.0 °C at 760 mmHg
• 熔点: 7-8 °C(lit.)
• 分子式: C₁₀H₆F₆
• 分子量: 240.145
• 闪点: 50.0±0.0 °C
• 精确质量: 240.037369
• LogP: 4.69
• 蒸汽压: 2.6±0.3 mmHg at 25°C
• 折射率: 1.430
• 储存条件: 室温，密封，干燥
• 分子结构:

  1、 摩尔折射率：47.13

  2、 摩尔体积（m³/mol）：182.4

  3、 等张比容（90.2K）：386.6

  4、 表面张力（dyne/cm）：20.1

  5、 极化率（10 ^-24cm ³）：18.68

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.5

  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:1

  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:16

  8.表面电荷:0

  9.复杂度:229

  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:

  一、物性数据

  性状：不可用

  密度（g/mL,25/4℃）：1.334

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：7-8

  沸点（ºC,常压）：60

  沸点（ºC,5.2kPa）：不可用

  折射率：1.425

  闪点（ºC）：50

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

3,5-Bis(trifluoromethyl)styrene (stabilized with TBC) Revision number: 4 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:3,5-Bis(trifluoromethyl)styrene (stabilized with TBC) Revision number:4 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDS Flammable liquidsCategory 3 HEALTH HAZARDS Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsFlammable liquid and vapour Causes skin irritation Causes serious eye irritation Precautionary statements: [Prevention]Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Keep container tightly closed. Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary measures against ignition by the static discharge and the spark. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF IN EYES: 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. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. [Storage]Store in a well-ventilated place. Keep cool. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Other hazards which do notMay cause polimerization. result in classification TBC) Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:3,5-Bis(trifluoromethyl)styrene (stabilized with TBC) Percent:>98.0%(GC) CAS Number:349-59-7 Chemical Formula:C10H6F6 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. Gently wash with plenty of soap and water. 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. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: 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 This substance may polimerize explosively when heated or involved in a fire. from the chemical:Container may explode when heated. Combat fire from a sheltered position. Take care as it may decompose upon combustion or in high temperatures to 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 protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into a containment and cleaning covered container. In case of large amount of spillage, contain a spill by bunding. up: Adhered or collected material should be promptly disposed of, in accordance with 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. 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 vapor or mist. 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. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol will be generated. TBC) Section7. HANDLING AND STORAGE 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, dark and well-ventilated place. Store under inert gas. Store away from incompatible materials such as oxidizing agents. Air-sensitive Packaging material:Law is followed. 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: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Liquid Physical state (20°C): Form:clear - slightly cloudy Color:Colorless - Very pale yellow No data available Odor: pH: No data available Melting point/freezing point:8°C Boiling point/range:No data available 50°C Flash point: Flammability or explosive limits: Lower:No data available No data available Upper: Relative density:1.35 No data available Solubility: Section10. STABILITY AND REACTIVITY Chemical stability:Polymerization may occur under the influences of heat, light or upon contact with polymelization initiator such as peroxides etc. Possibility of hazardous No special reactivity has been reported. reactions: heat, spark, open flame, static discharge, light Conditions to avoid: Incompatible materials: oxidizing agents, strong acids Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride 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: No data available IARC = NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: TBC) Section12. ECOLOGICAL INFORMATION Fish:No data available Crustacea:No data available 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 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 3: Flammable liquid. Hazards Class: UN-No:1993 Proper shipping name:Flammable liquid, n.o.s. Packing group:III 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

毒性和生态

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R10
• 安全声明 (欧洲): S16-S26-S36/37/39
• 危险品运输编码: UN 1993 3/PG 3
• WGK德国: 3
• 包装等级: III
• 危险类别: 3
• 海关编码: 2903999090

合成路线

68120-60-5 ~% 349-59-7

文献：Journal of the American Chemical Society, , vol. 72, p. 4053

328-70-1 ~% 349-59-7

文献：Polymer, , vol. 52, # 4 p. 949 - 953

54509-73-8 328-70-1 ~94% 349-59-7

文献：Chemistry - A European Journal, , vol. 8, # 6 p. 1372 - 1376

上下游产品

上游产品  3
54509-73-8 328-70-1 68120-60-5
下游产品  2
93427-28-2 68120-60-5

海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 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
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%