52938-99-5

• 常用中文名：5-(4-甲氧苯基)-2-糠酸
• 常用英文名：5-(4-Methoxyphenyl)-2-furoic acid
• CAS号：52938-99-5
• 分子式：C₁₂H₁₀O₄
• 分子量：218.20500
• 发布时间：2018-06-08 11:37:52
• 更新时间：2024-01-12 08:35:54
• 下载msds

名称

• 中文名: 5-(4-甲氧苯基)-2-糠酸
• 英文名: 5-(4-methoxyphenyl)furan-2-carboxylic acid
• 中文别名: 5-(4-甲氧基苯基)呋喃-2-羧酸
• 英文别名: 5-(4-Methoxy-phenyl)-furan-2-carbonsaeure; 5-(4-Methoxyphenyl)-2-furoic acid; 5-(4-methoxyphenyl)furane-2-carboxylic acid; 4-(5-Carboxyfur-2-yl)anisole; 5-(4-methoxyphenyl)-furan-2-carboxylic acid; MFCD04039107; 5-(4'-Methoxyphenyl)-2-furancarbonsaeure; 5-(4-methoxyphenyl)-2-furancarboxylic acid

物化性质

• 密度: 1.253g/cm3
• 沸点: 401.5ºC at 760mmHg
• 熔点: 182-186 °C (dec.)(lit.)
• 分子式: C₁₂H₁₀O₄
• 分子量: 218.20500
• 闪点: 196.6ºC
• 精确质量: 218.05800
• PSA: 59.67000
• LogP: 2.65340
• 折射率: 1.565
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：56.75

  2、 摩尔体积（cm³/mol）：174.0

  3、 等张比容（90.2K）：453.4

  4、 表面张力（dyne/cm）：46.0

  5、 极化率：22.49

  6、 介电常数：未确定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.5

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积59.7

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:245

  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：固体

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：182-186

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 5-(4-Methoxyphenyl)-2-furoic acid Material Safety Data Sheet Synonym: None Known. CAS: 52938-99-5 Section 1 - Chemical Product MSDS Name: 5-(4-Methoxyphenyl)-2-furoic acid Material Safety Data Sheet Synonym: None Known. SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 52938-99-5 5-(4-Methoxyphenyl)-2-furoic acid 97+ unlisted 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. Chronic: No information found. 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 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 and move 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. Exposure Limits CAS# 52938-99-5: 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: 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 respirator use. SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: off-white Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 176-178.5 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: C12H10O4 Molecular Weight: 218.21 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents, bases, amines. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 52938-99-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-(4-Methoxyphenyl)-2-furoic 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 22 Do not breathe dust. 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. WGK (Water Danger/Protection) CAS# 52938-99-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 52938-99-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 52938-99-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 5/20/2004 Revision #1 Date: 5/20/2004 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

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2932190090

合成路线

52939-05-6 ~96% 52938-99-5

文献：Bilodeau, Francois; Brochu, Marie-Christine; Guimond, Nicolas; Thesen, Kris H.; Forgione, Pat Journal of Organic Chemistry, 2010 , vol. 75, # 5 p. 1550 - 1560

585-70-6 5720-07-0 ~97% 52938-99-5

文献：Korolev, Dmitrii N.; Bumagin, Nikolay A. Tetrahedron Letters, 2005 , vol. 46, # 34 p. 5751 - 5754

88-14-2 104-94-9 ~% 52938-99-5

文献：Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 182, # 5 p. 1083 - 1091

34070-33-2 ~32% 52938-99-5

文献：Burch; White; Wright; Goldenberg Journal of Pharmaceutical Sciences, 1980 , vol. 69, # 1 p. 107 - 110

88-14-2 4346-59-2 ~% 52938-99-5

文献：Collection of Czechoslovak Chemical Communications, , vol. 39, p. 767,768, 770

上下游产品

上游产品  7
52939-05-6 585-70-6 5720-07-0 88-14-2
104-94-9 34070-33-2 4346-59-2
下游产品  2
93770-57-1 60336-01-8

海关

海关编码	2932190090
中文概述	2932190090 其他结构上有非稠合呋喃环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%