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| 中文名 | 3-乙酰氨基香豆素 |
|---|---|
| 英文名 | N-(2-oxochromen-3-yl)acetamide |
| 中文别名 | 黄藤素/巴马汀 |
| 英文别名 |
N-(2-Oxo-2H-chromen-3-yl)acetamide
3-acetamido-2H-chromen-2-one 3-(N-acetyl)-aminocoumarin 3-Acetamidocoumarin 3-(Acetylamino)coumarin MFCD00075556 3-amino-2H-1-benzopyran-2-one |
| 描述 | 3-乙酰氨基香豆素在生物学和医学中起着重要作用。3-乙酰氨基香豆素具有生理作用,已用于许多疾病,如烧伤、布鲁氏菌病、风湿性疾病和癌症的治疗[1]。 |
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| 相关类别 | |
| 参考文献 |
| 密度 | 1.31g/cm3 |
|---|---|
| 沸点 | 482ºC at 760 mmHg |
| 熔点 | 205-207 °C(lit.) |
| 分子式 | C11H9NO3 |
| 分子量 | 203.19400 |
| 闪点 | 245.3ºC |
| 精确质量 | 203.05800 |
| PSA | 59.31000 |
| LogP | 1.82440 |
| 外观性状 | 固体;White to Light yellow to Light orange powder to crystal |
| 折射率 | 1.604 |
| 储存条件 | 常温 ，避光，通风干燥处 |
| 稳定性 | 常温常压下稳定 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.3 2.氢键供体数量:1 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:2 6.拓扑分子极性表面积55.4 7.重原子数量:15 8.表面电荷:0 9.复杂度:322 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：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）：205-207 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:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
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: The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Keep container closed when not in use. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 779-30-6: 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 and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. 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: Not available. Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 206 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: C11H9NO3 Molecular Weight: 203.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidants. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 779-30-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Acetamidocoumarin - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 779-30-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 779-30-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 779-30-6 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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| 安全声明 (欧洲) | S22-S24/25 |
|---|---|
| WGK德国 | 3 |
| 海关编码 | 2932209090 |
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~83%
779-30-6 |
| 文献：Kadhum, Abdul Amir H.; Mohamad, Abu Bakar; Al-Amiery, Ahmed A.; Takriff, Mohd S. Molecules, 2011 , vol. 16, # 8 p. 6969 - 6984 |
|
~61%
779-30-6 |
| 文献：Audisio, Davide; Messaoudi, Samir; Peyrat, Jean-Francois; Brion, Jean-Daniel; Alami, Mouad Tetrahedron Letters, 2007 , vol. 48, # 39 p. 6928 - 6932 |
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~%
779-30-6 |
| 文献：Journal of Pharmacy and Pharmacology, , vol. 65, # 1 p. 30 - 34 |
|
~8%
779-30-6 |
| 文献：Kumar, Pradeep; Mukerjee, Arya K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 8 p. 704 - 707 |
|
~%
779-30-6 |
| 文献：Journal of the Chemical Society, , vol. 101, p. 1763 |
| 海关编码 | 2932209090 |
|---|---|
| 中文概述 | 2932209090. 其他内酯. 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 |
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
