5702-74-9

• 常用中文名：4-异丙基乙酰苯胺
• 常用英文名：Acetamide,N-[4-(1-methylethyl)phenyl]-
• CAS号：5702-74-9
• 分子式：C₁₁H₁₅NO
• 分子量：177.24300
• 发布时间：2018-07-10 18:32:41
• 更新时间：2024-01-11 17:14:58

名称

• 中文名: 4’-异丙基乙酰苯胺
• 英文名: 4-isopropylacetanilide
• 中文别名: 4-异丙基乙酰苯胺; N-(4-异丙基苯)-乙酰胺
• 英文别名: 1-(acetylamino)-4-(1-methylethyl)benzene; 4-acetaminoisopropylbenzene; MFCD00026406; N1-(4-ISOPROPYLPHENYL)ACETAMIDE; N-(4-ISOPROPYL-PHENYL)-ACETAMIDE; p-isopropylacetanilide

物化性质

• 密度: 1.026g/cm3
• 沸点: 323.7ºC at 760mmHg
• 熔点: 101ºC
• 分子式: C₁₁H₁₅NO
• 分子量: 177.24300
• 闪点: 191.1ºC
• 精确质量: 177.11500
• PSA: 29.10000
• LogP: 2.84140
• 折射率: 1.552
• 储存条件:

  常温，避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：54.70

  2、 摩尔体积（m³/mol）：172.5

  3、 等张比容（90.2K）：426.0

  4、 表面张力（dyne/cm）：37.1

  5、 极化率（10 ^-24cm ³）：21.68

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2.5

  2、 氢键供体数量：1

  3、 氢键受体数量：4

  4、 可旋转化学键数量：4

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：64.4

  7、 重原子数量：21

  8、 表面电荷：0

  9、 复杂度：357

  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：1

  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,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：101-103

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：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

Name: N1-(4-isopropylphenyl)acetamide 97% Material Safety Data Sheet Synonym: 4-Isopropylacetanilid CAS: 5702-74-9 Section 1 - Chemical Product MSDS Name:N1-(4-isopropylphenyl)acetamide 97% Material Safety Data Sheet Synonym:4-Isopropylacetanilid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5702-74-9 N1-(4-Isopropylphenyl)acetamide 97% unlisted Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: May cause 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: 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: Vacuum or sweep up material and place into a suitable disposal 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5702-74-9: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 101 - 103 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H15NO Molecular Weight: 177 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Acids, strong oxidizing agents, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5702-74-9 unlisted. LD50/LC50: Not available. Carcinogenicity: N1-(4-Isopropylphenyl)acetamide - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 5702-74-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5702-74-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5702-74-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境.

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): 22-36/37/39

合成路线

99-88-7 108-24-7 ~93% 5702-74-9

文献：Farhadi, Saeid; Panahandehjoo, Somayeh Applied Catalysis A: General, 2010 , vol. 382, # 2 p. 293 - 302

99-88-7 ~% 5702-74-9

文献：US6541470 B1, ;

1817-47-6 10387-40-3 ~88% 5702-74-9

文献：THE TEXAS A and M UNIVERSITY SYSTEM Patent: WO2006/23763 A1, 2006 ; Location in patent: Page/Page column 12; 13 ;

1817-47-6 507-09-5 ~77% 5702-74-9

文献：Bhattacharya, Apurba; Suarez, Victor; Tamez Jr., Victoriano; Wu, Jiejun Tetrahedron Letters, 2006 , vol. 47, # 19 p. 3221 - 3223

99-88-7 123-54-6 ~85% 5702-74-9

文献：Sun, Xi; Wang, Min; Li, Pinhua; Zhang, Xiuli; Wang, Lei Green Chemistry, 2013 , vol. 15, # 12 p. 3289 - 3294

99-88-7 75-36-5 ~% 5702-74-9

文献：Heterocyclic Communications, , vol. 17, # 3-4 p. 111 - 119

1817-47-6 108-24-7 ~% 5702-74-9 77092-92-3

文献：Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, , vol. 34, # 9 p. 693 - 694

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