284493-72-7

• 常用中文名：3-(Boc-氨基)-3-(4-氟苯基)丙酸
• 常用英文名：3-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
• CAS号：284493-72-7
• 分子式：C₁₄H₁₈FNO₄
• 分子量：283.295
• 发布时间：2018-12-18 16:46:25
• 更新时间：2025-09-18 11:35:36

名称

• 中文名: 3-(Boc-氨基)-3-(4-氟苯基)丙酸
• 英文名: 3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)-propanoic acid
• 中文别名: 3-NBOC-氨基-3-(4-氟苯基)丙酸; 3-[(叔丁氧羰基)氨基]-3-(4-氟苯基)丙酸
• 英文别名: MFCD02090715; 3-tert-Butoxycarbonylamino-3-(4-fluorophenyl)-propionic acid; Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-; 3-(4-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid; 3-(Boc-amino)-3-(4-fluorophenyl)propionic acid; 3-N-(TERT-BUTOXYCARBONYL)-AMINO-3-(4-FLUOROPHENYL)PROPIONIC ACID; Boc-3-Amino-3-(4-fluorophenyl)propionic acid; 3-N-BOC-AMINO-3-(4-FLUOROPHENYL)PROPIONIC ACID; 3-TERT-BUTOXYCARBONYLAMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID; 3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid; RARECHEM AK HT T330

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 424.5±40.0 °C at 760 mmHg
• 熔点: 152-154ºC (dec.)
• 分子式: C₁₄H₁₈FNO₄
• 分子量: 283.295
• 闪点: 210.5±27.3 °C
• 精确质量: 283.121979
• PSA: 75.63000
• LogP: 2.77
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.516
• 储存条件:

  保存方法：干燥、阴凉、密闭处

• 稳定性:

  避氧化物

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：22.7

  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：5

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：78.5

  7、 重原子数量：20

  8、 表面电荷：-1

  9、 复杂度：340

  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：白色粉末

  2. 密度（g/mL25 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：152-154

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC14mmHg）：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,）：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：不能溶解于水的

MSDS

Name: 3-N-BOC-Amino-3-(4-Fluorophenyl)Propionic Acid Material Safety Data Sheet Synonym: 3-N-(tert-Butoxycarbonyl)-Amino-3-(4-Fluorophenyl)Propionicacid CAS: 284493-72-7 Section 1 - Chemical Product MSDS Name:3-N-BOC-Amino-3-(4-Fluorophenyl)Propionic Acid Material Safety Data Sheet Synonym:3-N-(tert-Butoxycarbonyl)-Amino-3-(4-Fluorophenyl)Propionicacid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 284493-72-7 3-N-BOC-Amino-3-(4-Fluorophenyl)Propio ca. 100 unlisted | |nic Acid | | Hazard Symbols: XI 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. May cause chemical conjunctivitis. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. 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: 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. Inhalation: Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. 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: 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. 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use. 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: C14H18FNO4 Molecular Weight: 283.3 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 284493-72-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-N-BOC-Amino-3-(4-Fluorophenyl)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 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: 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# 284493-72-7: 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# 284493-72-7 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 284493-72-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 1、其它有害作用：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。

安全

• 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: 2924299090

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%