1138-15-4

• 常用中文名：反式-肉桂酰咪唑
• 常用英文名：2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-
• CAS号：1138-15-4
• 分子式：C₁₂H₁₀N₂O
• 分子量：198.22100
• 发布时间：2018-09-30 13:15:25
• 更新时间：2024-01-08 19:06:06

名称

• 中文名: 反式-肉桂酰咪唑
• 英文名: n-trans-cinnamoylimidazole
• 中文别名: N-反式-肉桂酸基咪唑; N--肉桂酸基咪唑
• 英文别名: N-TRANS-CINNAMOYLIMIDAZOL; 1-(TRANS-CINNAMOYL)IMIDAZOLE; 1-[(E)-Cinnamoyl]-1H-imidazole; 1-(3-phenyl-acryloyl)-1H-imidazole; 1-[(E)-1-Oxo-3-phenyl-2-propenyl]-1H-imidazole; 1-TRANS-CINNAMOYLIMIDAZOLE; 1-Cinnamoyl-1H-imidazole; N-trans-Cinnamoyl imidazole,GC; (e)-1h-imidazol; cinnamic acid imidazolide; EINECS 214-510-8; (2E)-1-imidazolyl-3-phenylprop-2-en-1-one; MFCD00005288; CINNAMOYLIMIDAZOLE; N-trans-Cinnamoylimidazole; 1-trans-Cinnamoyl-1H-imidazole; N-TRANS-CINNAMOYL IMIDAZOLE

物化性质

• 密度: 1.09g/cm3
• 沸点: 391.8ºC at 760mmHg
• 熔点: 127-133ºC
• 分子式: C₁₂H₁₀N₂O
• 分子量: 198.22100
• 闪点: 190.7ºC
• 精确质量: 198.07900
• PSA: 34.89000
• LogP: 2.23670
• 蒸汽压: 2.41E-06mmHg at 25°C
• 折射率: 1.582
• 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、水分/潮湿、热、酸

• 分子结构:

  1、 摩尔折射率：60.61

  2、 摩尔体积（m³/mol）：181.5

  3、 等张比容（90.2K）：467.6

  4、 表面张力（dyne/cm）：44.0

  5、 极化率（10 ^-24cm ³）：24.02

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积34.9

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:244

  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:1

  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：晶体状粉末

  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）：127

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,42mm）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC,24mm）：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（mmHg,20ºC）：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：可水解的

MSDS

Name: N-trans-Cinnamoylimidazole 97% Material Safety Data Sheet Synonym: CAS: 1138-15-4 Section 1 - Chemical Product MSDS Name:N-trans-Cinnamoylimidazole 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1138-15-4 N-trans-Cinnamoylimidazole 97% 214-510-8 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Light sensitive.Moisture sensitive.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire. Do NOT get water inside containers. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Do not allow contact with water. Keep from contact with moist air and steam. Storage: Do not store in direct sunlight. Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture. Store protected from light. Store under nitrogen. 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# 1138-15-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: Powder Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 133-135 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: C12H10N2O Molecular Weight: 198.0828 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Moisture sensitive. Light sensitive. Conditions to Avoid: Incompatible materials, light, dust generation, exposure to moist air or water. Incompatibilities with Other Materials: Moisture, oxidizing agents, strong acids. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1138-15-4 unlisted. LD50/LC50: Not available. Carcinogenicity: N-trans-Cinnamoylimidazole - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 1138-15-4: No information available. Canada CAS# 1138-15-4 is listed on Canada's NDSL List. CAS# 1138-15-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1138-15-4 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

• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S24/25
• 海关编码: 2933290090

合成路线

140-10-3 530-62-1 ~% 1138-15-4

文献：Chemical Communications, , vol. 48, # 43 p. 5352 - 5354

288-32-4 140-10-3 ~% 1138-15-4

文献：Journal of the American Chemical Society, , vol. 123, # 38 p. 9474 - 9475

288-32-4 102-92-1 ~% 1138-15-4

文献：Journal of Organic Chemistry, , vol. 50, # 9 p. 1552 - 1554

288-32-4 71721-74-9 ~% 100-02-7 1138-15-4

文献：Zeitschrift fuer Physikalische Chemie (Muenchen, Germany), , vol. 120, p. 9 - 18

上下游产品

上游产品  5
140-10-3 530-62-1 288-32-4 102-92-1
71721-74-9
下游产品  8
288-32-4 140-10-3 108013-15-6 92581-12-9
61157-31-1 61540-32-7 6275-80-5 103826-22-8

海关

海关编码	2933290090
中文概述	2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%