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| 中文名 | 4-(4-硝基苄基)吗啡啉 |
|---|---|
| 英文名 | 4-[(4-nitrophenyl)methyl]morpholine |
| 中文别名 | 4-(4-硝基苄基)吗啉 |
| 英文别名 |
4-(N-Morpholinomethyl)-1-nitrobenzene
4-(4-Nitro-benzyl)-morpholine 4-(4-Nitrobenzyl)morpholine MFCD00448629 4-(morpholino-methyl)-nitrobenzene Morpholine, 4-[(4-nitrophenyl)methyl]- 4-[(4-nitrophenyl)-methyl]-morpholine |
| 密度 | 1.2±0.1 g/cm3 |
|---|---|
| 沸点 | 349.4±27.0 °C at 760 mmHg |
| 熔点 | 79.6-80ºC |
| 分子式 | C11H14N2O3 |
| 分子量 | 222.240 |
| 闪点 | 165.1±23.7 °C |
| 精确质量 | 222.100449 |
| PSA | 58.29000 |
| LogP | 0.91 |
| 外观性状 | 黄色-橙色至橙色结晶粉末 |
| 蒸汽压 | 0.0±0.8 mmHg at 25°C |
| 折射率 | 1.578 |
| 储存条件 | 密封储存，储存于阴凉、干燥的库房。远离腐蚀区。 |
| 稳定性 | 避免与不相容材料接触。 与强氧化剂反应。 |
| 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:4 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58.3 7.重原子数量:16 8.表面电荷:0 9.复杂度:228 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：黄色或橙色固体 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）：79.6-80 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC，17mmHg）：未确定 7. 折射率(n20/D)：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（mmHg,217ºC）：未确定 12. 饱和蒸气压（kPa,25ºC）：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: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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 foam, dry chemical, or carbon dioxide. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. 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# 6425-46-3: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 79.6 - 80 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: C11H14N2O3 Molecular Weight: 222.24 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# 6425-46-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(4-Nitrobenzyl)morpholine - 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: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3263 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3263 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3263 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 6425-46-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6425-46-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6425-46-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | C |
|---|---|
| 风险声明 (欧洲) | R34 |
| 安全声明 (欧洲) | S22-S26-S36-S37-S39 |
| 危险品运输编码 | 1759.0 |
| 海关编码 | 2934999090 |
|
~99%
6425-46-3 |
| 文献：Murugesan, Dinakaran; Mital, Alka; Kaiser, Marcel; Shackleford, David M.; Morizzi, Julia; Katneni, Kasiram; Campbell, Michael; Hudson, Alan; Charman, Susan A.; Yeates, Clive; Gilbert, Ian H. Journal of Medicinal Chemistry, 2013 , vol. 56, # 7 p. 2975 - 2990 |
|
~98%
6425-46-3 |
| 文献：Chen, Wen-Xin; Zhang, Cai-Yun; Shao, Li-Xiong Tetrahedron, 2014 , vol. 70, # 4 p. 880 - 885 |
|
~95%
6425-46-3 |
| 文献：Blessley, George; Holden, Patrick; Walker, Matthew; Brown, John M.; Gouverneur, Veronique Organic Letters, 2012 , vol. 14, # 11 p. 2754 - 2757 |
|
~97%
6425-46-3 |
| 文献：Shiraishi, Mitsuru; Aramaki, Yoshio; Seto, Masaki; Imoto, Hiroshi; Nishikawa, Youichi; Kanzaki, Naoyuki; Okamoto, Mika; Sawada, Hidekazu; Nishimura, Osamu; Baba, Masanori; Fujino, Masahiko Journal of Medicinal Chemistry, 2000 , vol. 43, # 10 p. 2049 - 2063 |
|
~99%
6425-46-3 |
| 文献：McGonagle, Fiona I.; MacMillan, Donna S.; Murray, Jane; Sneddon, Helen F.; Jamieson, Craig; Watson, Allan J. B. Green Chemistry, 2013 , vol. 15, # 5 p. 1159 - 1165 |
|
~%
6425-46-3 |
| 文献：Organic Letters, , vol. 12, # 13 p. 2904 - 2907 |
|
~%
6425-46-3 |
| 文献：Journal of Organic Chemistry, , vol. 56, # 11 p. 3475 - 3479 |
|
~%
6425-46-3 |
| 文献：Journal of Organic Chemistry, , vol. 56, # 11 p. 3475 - 3479 |
|
~%
6425-46-3 |
| 文献：Journal of the Chemical Society - Perkin Transactions 1, , # 15 p. 2239 - 2241 |
| 上游产品 9 | |
|---|---|
| 下游产品 2 | |
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 2934999090. 其他杂环化合物. 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 |
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
