161726-69-8

• 常用中文名：5-溴-5'-甲酰基-2,2':5'2'-三噻吩
• 常用英文名：5''-BROMO-2,2':5',2''-TERTHIOPHENE-5-CARBOXALDEHYDE
• CAS号：161726-69-8
• 分子式：C₁₃H₇BrOS₃
• 分子量：355.29300
• 发布时间：2018-06-20 15:35:06
• 更新时间：2024-01-18 11:38:45

名称

• 中文名: 5-溴-5'-甲酰基-2,2':5'2'-三噻吩
• 英文名: 5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
• 中文别名: 5-溴-5’-甲酰基-2,2’:5’2’-三噻吩; 5''-溴-2,2':5',2''-三联噻吩-5-甲醛
• 英文别名: 5''-bromo-2,2':5',2''-terthithiophene-5-carboxaldehyde; 5-bromo-5''-formyl-2,2':5',2''-terthiophene; AMTDA040; 5''-Bromo-2,2':5',2''-terthiophene-5-carboxaldehyde

物化性质

• 熔点: 164ºC
• 分子式: C₁₃H₇BrOS₃
• 分子量: 355.29300
• 闪点: 106°C
• 精确质量: 353.88400
• PSA: 101.79000
• LogP: 5.78010
• 折射率: 1.716
• 储存条件: 室温，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:5.2

  2.氢键供体数量:0

  3.氢键受体数量:4

  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102

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:315

  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, 25 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：164

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 28mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：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,25ºC）：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

MSDS

5''-Bromo-2,2':5',2''-terthiophene-5-carboxaldehyde Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:5''-Bromo-2,2':5',2''-terthiophene-5-carboxaldehyde Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):5''-Bromo-2,2':5',2''-terthiophene-5-carboxaldehyde Percent:>94.0%(GC) CAS Number:161726-69-8 Synonyms:5-Bromo-5''-formyl-2,2':5',2''-terthiophene Chemical Formula:C13H7BrOS3 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. 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: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. 5''-Bromo-2,2':5',2''-terthiophene-5- carboxaldehyde 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:Very pale yellow - Yellow red Odor:No data available pH: No data available Melting point/freezing point:164 °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:Soluble in : Methylene chloride Section10. STABILITY AND REACTIVITY Stable under proper conditions. Stability: Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents 5''-Bromo-2,2':5',2''-terthiophene-5- carboxaldehyde Section10. STABILITY AND REACTIVITY Hazardous Decomposition Carbon monoxide, Carbon dioxide, Sulphur oxides, Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available No data available Serious eye 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: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available No data available Soil adsorption (Koc): 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 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 Hazards Class:Does not correspond to the classification standard of the United Nations Not Listed UN-No: 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. 5''-Bromo-2,2':5',2''-terthiophene-5- carboxaldehyde SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危险品运输编码: 3082.0
• 危险类别: 9.0

合成路线

7342-41-8 ~97% 161726-69-8

文献：Parakka, James P.; Cava, Michael P. Tetrahedron, 1995 , vol. 51, # 8 p. 2229 - 2242

1081-34-1 ~% 161726-69-8

文献：Tetrahedron Letters, , vol. 36, # 5 p. 665 - 668

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