133739-70-5

• 常用中文名：2,3,5-三氟溴苯
• 常用英文名：1-Bromo-2,3,5-trifluorobenzene
• CAS号：133739-70-5
• 分子式：C₆H₂BrF₃
• 分子量：210.979
• 相关类别： 有机原料 烃类化合物及其衍生物 烃类卤化物
• 发布时间：2018-08-23 17:22:27
• 更新时间：2024-01-02 14:58:13
• 【用途一】
  医药、农药、液晶材料中间体。

名称

• 中文名: 2,3,5-三氟溴苯
• 英文名: 1-Bromo-2,3,5-trifluorobenzene
• 中文别名: 1-溴-2,3,5-三氟苯
• 英文别名: 2,3,5-trifluorobromo benzene; 2,3,5-trifluoro-1-bromobenzene; 1-Bromo-2,3,5-trifluorobenzene; Benzene, 1-bromo-2,3,5-trifluoro-; 1-bromo-2,3,5-trifluoro-benzene; 3-bromo-1,2,5-trifluorobenzene; MFCD00012232; 2,3,5-Trifluorobromobenzene; FR BF DF FE

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 150.6±35.0 °C at 760 mmHg
• 分子式: C₆H₂BrF₃
• 分子量: 210.979
• 闪点: 31.7±0.0 °C
• 精确质量: 209.929184
• LogP: 3.05
• 外观性状: 透明略黄色液体
• 蒸汽压: 4.9±0.3 mmHg at 25°C
• 折射率: 1.486
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

  避免氧化物
• 分子结构:

  1、摩尔折射率：33.92

  2、摩尔体积（cm³/mol）：118.2

  3、等张比容（90.2K）：279.1

  4、表面张力（dyne/cm）：31

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：13.44

  7、单一同位素质量：209.92919 Da

  8、标称质量：210 Da

  9、平均质量：210.9793 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  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:10

  8.表面电荷:0

  9.复杂度:120

  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：有芳香气味的无色液体

  2. 密度（g/mL,25℃）：1.777

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：-19

  5. 沸点（ºC,常压）：143

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：n20/D 1.4860

  8. 闪点（ºC）：55

  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：不溶于水

MSDS

1-Bromo-2,3,5-trifluorobenzene Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:1-Bromo-2,3,5-trifluorobenzene Revision number:1 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 Pictograms or hazard symbols Signal wordWarning Hazard statementFlammable 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 Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance Substance/mixture: 1-Bromo-2,3,5-trifluorobenzene Section3. COMPOSITION/INFORMATION ON INGREDIENTS Component(s):1-Bromo-2,3,5-trifluorobenzene Percent:>98.0%(GC) CAS Number:133739-70-5 Chemical Formula:C6H2BrF3 Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Get medical advice/attention if you feel unwell. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: 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. 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: Extinguishing media not to Solid streams of water be used: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. 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: 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 Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, 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 an containment and cleaning airtight 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 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. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a cool, dark and well-ventilated place. Store away from incompatible materials such as oxidizing agents. 1-Bromo-2,3,5-trifluorobenzene Section7. HANDLING AND STORAGE Packaging material:Law is followed. Section8. 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: Vapor 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 Physical state (20°C):Liquid Form:clear Color:Pale yellow - Yellow Odor:No data available pH: No data available Melting point/freezing point:No data available Boiling Point/Range:No data available Flash Point:32°C Explosive limits Lower:No data available Upper:No data available Density:1.79 Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. No special reactivity has been reported. Reactivity: Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride, Hydrogen bromide 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 log Pow:No data available Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): 1-Bromo-2,3,5-trifluorobenzene 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:3: Flammable liquid. UN-No:1993 Flammable liquid, n.o.s. Proper shipping name: Packing group:III 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. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS02, GHS07
• 信号词: Warning
• 危害声明: H226-H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R10;R36/37/38
• 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

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%