1198-37-4

• 常用中文名：2,4-二甲基喹啉
• 常用英文名：4-Methylquinaldine
• CAS号：1198-37-4
• 分子式：C₁₁H₁₁N
• 分子量：157.212
• 相关类别： 医药中间体 杂环化合物 喹啉类化合物
• 发布时间：2018-03-15 08:00:00
• 更新时间：2024-01-13 14:28:27
• 【用途一】
  染料中间体。

名称

• 中文名: 2,4-二甲基喹啉
• 英文名: 2,4-Dimethylquinoline
• 中文别名: 4-甲基喹哪啶; 2,4-二甲基-1-氮杂萘; 2,4-二甲基(5,6)苯并吡啶; 2,4-二甲喹啉
• 英文别名: MFCD00006760; 2,4-Dimethylquinoline; 4-Methylquinaldine; Quinoline, 2,4-dimethyl-; EINECS 214-832-9

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 263.8±9.0 °C at 760 mmHg
• 分子式: C₁₁H₁₁N
• 分子量: 157.212
• 闪点: 107.6±11.3 °C
• 精确质量: 157.089142
• PSA: 12.89000
• LogP: 3.00
• 外观性状: 液体;Colorless to Orange to Green clear liquid
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.611
• 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：51.83

  2、 摩尔体积（m³/mol）：149.3

  3、 等张比容（90.2K）：380.5

  4、 表面张力（dyne/cm）：42.1

  5、 极化率（10 ^-24cm ³）：20.54

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  2.氢键供体数量:0

  3.氢键受体数量:1

  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12.9

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:155

  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：黄色或无色液体

  2. 密度（g/cm³,20℃）：1.061

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ ºC ）： 未确定 5. 沸点（ ºC, 常压）： 264-265 6. 沸点（ ºC,15mmHg ）： 未确定

  7. 折射率（n20/D）：1.605

  8. 闪点（ºF）：>230

  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（psi,55ºC）：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：能与乙醇、乙醚混溶，微溶于水。

MSDS

Name: 2 4-Dimethylquinoline 97% Material Safety Data Sheet Synonym: CAS: 1198-37-4 Section 1 - Chemical Product MSDS Name:2 4-Dimethylquinoline 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1198-37-4 2,4-Dimethylquinoline 97% 214-832-9 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1198-37-4: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 264 - 265 deg C Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 113 deg C ( 235.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.061 Molecular Formula: C11H11N Molecular Weight: 157.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1198-37-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4-Dimethylquinoline - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 1198-37-4: No information available. Canada CAS# 1198-37-4 is listed on Canada's DSL List. CAS# 1198-37-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1198-37-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/38
• 安全声明 (欧洲): S26-S37/39
• WGK德国: 3

合成路线

制备

将加有碘的苯胺加热到170-175℃，滴加丙酮，并强烈搅拌，同时收集馏出物。从反应混合物和馏出物中减压蒸馏分离出苯胺、中间馏分2,2,4三甲基-1,2-二氢喹啉。后者与无水苯胺、金属钠及铜粉一起加热反应，从反应物中减压分馏，可得2,4-二甲基喹啉，收率80-90%。