584-20-3

• 常用中文名：3-氨基-4,4,4-三氟丁酸
• 常用英文名：Butanoic acid,3-amino-4,4,4-trifluoro-
• CAS号：584-20-3
• 分子式：C₄H₆F₃NO₂
• 分子量：157.09100
• 相关类别： 化学试剂 有机试剂 脂肪酸
• 发布时间：2018-09-11 11:58:25
• 更新时间：2025-08-27 10:52:09

名称

• 中文名: 3-氨基-4,4,4-三氟丁酸
• 英文名: 3-amino-4,4,4-trifluorobutyric acid
• 英文别名: DL-3-Amino-4,4,4-trifluorobutyric acid; rac-3-amino-4,4,4-trifluorobutanoic acid; 3-Amino-4,4,4-trifluorobutyricacid; 3-AMINO-4,4,4-TRIFLUOROBUTANOIC ACID; MFCD00041413

物化性质

• 密度: 1.432 g/cm3
• 沸点: 238.3ºC at 760 mmHg
• 熔点: 180-182 °C(lit.)
• 分子式: C₄H₆F₃NO₂
• 分子量: 157.09100
• 闪点: 97.9ºC
• 精确质量: 157.03500
• PSA: 63.32000
• LogP: 1.05100
• 外观性状: 白色至灰白色结晶粉末
• 折射率: 1.391
• 储存条件:

  贮存：

  将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

• 稳定性:

  稳定性和反应性：

  要避免的物料：氧化物。

  要分解的产品：一氧化碳和二氧化碳，氧化氮，氟化氢，氰化氢。

• 分子结构:

  1、 摩尔折射率：26.09

  2、 摩尔体积（cm³/mol）：109.6

  3、 等张比容（90.2K）：263.1

  4、 表面张力（dyne/cm）：33.1

  5、 极化率（10-24cm3）：10.34

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-2.3

  2.氢键供体数量:2

  3.氢键受体数量:6

  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63.3

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:133

  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:1

  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:

  一、物性数据

  1. 熔点（ºC）：180-182

MSDS

Name: 3-Amino-4 4 4-trifluorobutyric acid Material Safety Data Sheet Synonym: 3-Trifluoromethyl--alanin CAS: 584-20-3 Section 1 - Chemical Product MSDS Name:3-Amino-4 4 4-trifluorobutyric acid Material Safety Data Sheet Synonym:3-Trifluoromethyl--alanin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 584-20-3 3-Amino-4,4,4-trifluorobutyric acid 100.0 unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes 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: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. 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: Antidote: None reported. 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 water spray, dry chemical, carbon dioxide, or chemical 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: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 584-20-3: 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: Solid Color: Not available. Odor: No apparent odor. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 185 - 190 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: C4H6F3NO2 Molecular Weight: 157.09 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Conditions to Avoid: Incompatible materials, dust generation. Incompatibilities with Other Materials: Strong acids, strong bases, strong oxidizing agents, strong reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 584-20-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Amino-4,4,4-trifluorobutyric acid - 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: 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# 584-20-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 584-20-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 584-20-3 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: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

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-S36/37/39
• WGK德国: 3
• 海关编码: 2922499990

合成路线

406-94-0 ~98% 584-20-3

文献：Bevilacqua; Keith; Roberts Journal of Organic Chemistry, 1984 , vol. 49, # 8 p. 1430 - 1434

150618-36-3 ~% 584-20-3

文献：Tetrahedron Letters, , vol. 34, # 22 p. 3621 - 3624

上下游产品

上游产品  2
406-94-0 150618-36-3
下游产品  3
748746-28-3 88968-80-3 88968-81-4

海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%