589-06-0

• 常用中文名：4-(4-氟苯基)丁酸
• 常用英文名：4-(4-Fluorophenyl)butyric Acid
• CAS号：589-06-0
• 分子式：C₁₀H₁₁FO₂
• 分子量：182.19200
• 发布时间：2018-06-08 18:50:52
• 更新时间：2024-01-03 06:22:26
• 下载msds

名称

• 中文名: 4-(4-氟苯基)丁酸
• 英文名: 4-(4-Fluorophenyl)butanoic acid
• 中文别名: 4-(4-氟-苯基)-丁酸; 当归提取液
• 英文别名: 4-(4-fluorophenyl)butanoic acid; MFCD03788503; EINECS 209-631-8

物化性质

• 密度: 1.182g/cm3
• 沸点: 296.5ºC at 760mmHg
• 熔点: 45 °C
• 分子式: C₁₀H₁₁FO₂
• 分子量: 182.19200
• 闪点: 133.1ºC
• 精确质量: 182.07400
• PSA: 37.30000
• LogP: 2.23300
• 外观性状: 白色晶体
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：46.62

  2、 摩尔体积（cm³/mol）154.0

  3、 等张比容（90.2K）：392.3

  4、 表面张力（dyne/cm）：42.0

  5、 极化率（10-24cm3）：18.48

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积37.3

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:162

  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:

  一、物性数据

  1. 熔点（℃）：45

MSDS

Name: 4-(4-Fluorophenyl)butyric acid Material Safety Data Sheet Synonym: None Known. CAS: 589-06-0 Section 1 - Chemical Product MSDS Name: 4-(4-Fluorophenyl)butyric acid Material Safety Data Sheet Synonym: None Known. SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 589-06-0 4-(4-Fluorophenyl)butyric acid ca. 100 209-631-8 Hazard Symbols: None Listed. 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. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. SECTION 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. 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 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 589-06-0: 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: Crystalline powder Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 38 - 40 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: insoluble Specific Gravity/Density: Molecular Formula: C10H11FO2 Molecular Weight: 210.18 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 589-06-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(4-Fluorophenyl)butyric 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 589-06-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 589-06-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 589-06-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 4/03/2003 Revision #1 Date: 7/25/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): C;Xi
• 风险声明 (欧洲): 22-41
• 安全声明 (欧洲): S24/25
• 海关编码: 2916399090

合成路线

366-77-8 ~97% 589-06-0

文献：US5872118 A1, ;

127404-66-4 ~% 589-06-0

文献：Synthetic Communications, , vol. 34, # 20 p. 3751 - 3762

462-06-6 ~% 589-06-0

文献：Journal of the American Chemical Society, , vol. 70, p. 3177

3200-99-5 ~% 589-06-0

文献：Bulletin de la Societe Chimique de France, , p. 1308 - 1315

582-83-2 ~% 589-06-0

文献：Bulletin de la Societe Chimique de France, , p. 1308 - 1315

1117-71-1 17151-47-2 ~% 589-06-0

文献：Synthetic Communications, , vol. 21, # 8-9 p. 981 - 987

上下游产品

上游产品  5
366-77-8 462-06-6 582-83-2 1117-71-1
17151-47-2
下游产品  10
51787-96-3 20637-05-2 58472-36-9 1693-05-6
29419-15-6 2840-44-0 89326-70-5 89326-71-6
89326-72-7 40283-05-4

海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%