1908-61-8

• 常用中文名：4-溴[2.2]对环芳烷
• 常用英文名：4-Bromo[2.2]paracyclophane
• CAS号：1908-61-8
• 分子式：C₁₆H₁₅Br
• 分子量：287.19400
• 发布时间：2018-08-23 17:40:32
• 更新时间：2024-01-04 17:30:50

• 用作化学试剂

名称

• 中文名: 4-溴[2.2]对环芳烷
• 英文名: 4-Bromo[2.2]paracyclophane
• 英文别名: 2-bromo[2.2]paracyclophane; 2-bromo-paracyclophane; (+/-)-4-bromo[2.2]paracyclophane; rac-4-bromo[2.2]paracyclophane; 5-bromotricyclo[8.2.2.2^{4,7}]hexadeca-1(12),4,6,10,13,15-hexaene

物化性质

• 密度: 1.319g/cm3
• 沸点: 370.5ºC at 760mmHg
• 分子式: C₁₆H₁₅Br
• 分子量: 287.19400
• 闪点: 174.6ºC
• 精确质量: 286.03600
• LogP: 4.33290
• 蒸汽压: 0mmHg at 25°C
• 折射率: 1.608
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：75.32

  2、 摩尔体积（m³/mol）：217.7

  3、 等张比容（90.2K）：557.3

  4、 表面张力（dyne/cm）：42.9

  5、 极化率（10 ^-24cm ³）：29.85

• 计算化学:

  1.疏水参数计算参考值（XlogP）:5.1

  2.氢键供体数量:0

  3.氢键受体数量:0

  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:17

  8.表面电荷:0

  9.复杂度:242

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Section 1: Product Identification Chemical Name:racemic-4-Bromo[2.2]paracyclophane, min. 95% CAS Registry Number:1908-61-8 Formula:C16H15Br EINECS Number:none Chemical Family:organic bromide Synonym:5-Bromotricyclo[8,2,2,24,7]hexadeca-4,6,10,12,13,15-hexaene Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound1908-61-8100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract. Primary Routes of Exposure:Ingestion, inhalation Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes slight to mild irritation of the skin. Inhalation:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:No specific information is available on the physiological effects of ingestion. Acute Health Affects:Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information on long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:no data Autoignition Temperature:no data Explosion Limits:no data Extinguishing Medium:carbon dioxide, dry powder or foam If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit irritating fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unususal fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep in a cool, dry, well ventilated place. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white powder Molecular Weight:287.19 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:strong oxidizing agents Decomposition Products:carbon monoxide, carbon dioxide, organic fumes, hydrogen bromide SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory SARA (Title 313):Title compound not listed Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 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

合成路线

1633-22-3 ~99% 1908-61-8

文献：Parmar, Rakesh; Coles, Martyn P.; Hitchcock, Peter B.; Rowlands, Gareth J. Synthesis, 2010 , # 24 art. no. P12510SS, p. 4177 - 4187

735-65-9 ~62% 1908-61-8

文献：Mamyrbekova, Zh. A.; Bekro, Iv. A.; Soldatova, S. A.; Ageev, E. A.; Guryshev, V. N.; Soldatenkov, A. T. Pharmaceutical Chemistry Journal, 1994 , vol. 28, # 3 p. 203 - 208 Khimiko-Farmatsevticheskii Zhurnal, 1994 , vol. 28, # 3 p. 52 - 56

上下游产品

上游产品  2
1633-22-3 735-65-9
下游产品  1
1633-22-3