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| 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 |
| 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 |
Synonym:4-Isopropylacetanilid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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 |
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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.
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| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R22 |
| 安全声明 (欧洲) | 22-36/37/39 |
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~93%
5702-74-9 |
| 文献：Farhadi, Saeid; Panahandehjoo, Somayeh Applied Catalysis A: General, 2010 , vol. 382, # 2 p. 293 - 302 |
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~%
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| 文献：US6541470 B1, ; |
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~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 ; |
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~77%
5702-74-9 |
| 文献：Bhattacharya, Apurba; Suarez, Victor; Tamez Jr., Victoriano; Wu, Jiejun Tetrahedron Letters, 2006 , vol. 47, # 19 p. 3221 - 3223 |
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~85%
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| 文献：Sun, Xi; Wang, Min; Li, Pinhua; Zhang, Xiuli; Wang, Lei Green Chemistry, 2013 , vol. 15, # 12 p. 3289 - 3294 |
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~%
5702-74-9 |
| 文献：Heterocyclic Communications, , vol. 17, # 3-4 p. 111 - 119 |
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~%
5702-74-9 |
| 文献：Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, , vol. 34, # 9 p. 693 - 694 |
