中文名 | 3-(Boc-氨基)-3-(4-甲氧基苯基)丙酸 |
---|---|
英文名 | 3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
中文别名 |
3-N-叔丁氧羰基氨基-3-(4-甲氧基苯基)丙酸
3-NBOC-氨基-3-(4-甲氧基苯基)丙酸 |
英文别名 |
3-[(tert-butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
3-tert-Butoxycarbonylamino-3-(4-methoxy-phenyl)-propionic acid MFCD02090694 Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methoxy- 3-(4-Methoxyphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid 3-(Boc-amino)-3-(4-methoxyphenyl)propionic acid D,L-3-{[(1,1-dimethylethoxy)carbonyl]amino}-3-(4-methoxyphenyl)propanoic acid Boc-3-Amino-3-(4-methoxyphenyl)propionic acid |
密度 | 1.2±0.1 g/cm3 |
---|---|
沸点 | 463.2±45.0 °C at 760 mmHg |
熔点 | 167-169ºC (dec.) |
分子式 | C15H21NO5 |
分子量 | 295.331 |
闪点 | 233.9±28.7 °C |
精确质量 | 295.141968 |
PSA | 84.86000 |
LogP | 2.63 |
蒸汽压 | 0.0±1.2 mmHg at 25°C |
折射率 | 1.522 |
储存条件 | 密封储存,储存于阴凉、干燥的库房。远离氧化剂。冷藏。 |
稳定性 | 常温常压下稳定,避免与强氧化剂接触。 |
计算化学 | 1、 疏水参数计算参考值(XlogP):2.6 2、 氢键供体数量:1 3、 氢键受体数量:5 4、 可旋转化学键数量:6 5、 互变异构体数量:2 6、 拓扑分子极性表面积(TPSA):87.7 7、 重原子数量:21 8、 表面电荷:-1 9、 复杂度:350 10、同位素原子数量:0 11、确定原子立构中心数量:1 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:白色或灰白色粉末 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):167-169 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,2mmHg):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,20ºC):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:不溶于水 |
Synonym:3-N-(TERT-BUTOXYCARBONYL)-AMINO-3-(4-METHOXYPHENYL)PROPIONIC ACI Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Effects may be delayed. 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 soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: 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 to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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. 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 appropriate 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 or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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. Personal Protective Equipment Eyes: Wear chemical goggles. 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. Always use a NIOSH or European Standard EN 149 approved respirator when necessary. 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: Not available. 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: C15H21NO5 Molecular Weight: 295.1507 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 96363-20-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-N-BOC-AMINO-3(4-METHOXYPHENYL)PROPIONIC ACID - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. See actual entry in RTECS for complete information. 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 96363-20-1: No information available. United Kingdom Occupational Exposure Limits United Kingdom Maximum Exposure Limits Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 96363-20-1 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 96363-20-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
生态学数据: 对水是不危害的,若无政府许可,勿将材料排入周围环境。
|
危害码 (欧洲) | Xi:Irritant; |
---|---|
风险声明 (欧洲) | R36/37/38 |
安全声明 (欧洲) | S26-S37/39 |
海关编码 | 2922509090 |
上游产品 3 | |
---|---|
下游产品 0 |
海关编码 | 2922509090 |
---|---|
中文概述 | 2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0% |
申报要素 | 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 |
监管条件 | A.入境货物通关单 B.出境货物通关单 |
检验检疫 | R.进口食品卫生监督检验 S.出口食品卫生监督检验 |
Summary | 2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |