579-49-7

• 常用中文名：4-氟苯基-2-噻吩酮
• 常用英文名：4-fluorophenyl 2-thienyl ketone
• CAS号：579-49-7
• 分子式：C₁₁H₇FOS
• 分子量：206.23600
• 发布时间：2018-06-24 15:12:09
• 更新时间：2024-01-05 10:25:57
• 下载msds

名称

• 中文名: 4-氟苯基-2-噻吩酮
• 英文名: (4-fluorophenyl)-thiophen-2-ylmethanone
• 中文别名: 4-氟苯基-2-乙酰噻吩
• 英文别名: MFCD00044554; (4-fluorophenyl)-(thien-2-yl)ketone; (4-fluorophenyl)-(thiophen-2-yl)methanone; 2-(4-fluorobenzoyl)-thiophene; (4-fluorophenyl)(2-thienyl)methanone; p-fluorophenyl thien-2-yl ketone; 4-Fluorophenyl 2-thienyl ketone; EINECS 209-442-0

物化性质

• 密度: 1.279g/cm3
• 沸点: 314.7ºC at 760mmHg
• 熔点: 94-99 °C
• 分子式: C₁₁H₇FOS
• 分子量: 206.23600
• 闪点: 144.1ºC
• 精确质量: 206.02000
• PSA: 45.31000
• LogP: 3.11820
• 折射率: 1.59
• 分子结构:

  分子性质数据：

  1、 摩尔折射率：54.42

  2、 摩尔体积（m³/mol）：161.2

  3、 等张比容（90.2K）：417.1

  4、 表面张力（dyne/cm）：44.8

  5、 极化率（10^-24cm³）：21.57

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.4

  2.氢键供体数量:0

  3.氢键受体数量:3

  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45.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:211

  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（ºC）：94-99

MSDS

Name: (4-Fluorophenyl)-(2-thienyl) ketone 97% Material Safety Data Sheet Synonym: None CAS: 579-49-7 Section 1 - Chemical Product MSDS Name:(4-Fluorophenyl)-(2-thienyl) ketone 97% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 579-49-7 (4-Fluorophenyl)-(2-thienyl) ketone 97 209-442-0 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. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause 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: 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: 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: Sweep up, then place into a suitable container for disposal. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. 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# 579-49-7: 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: beige to brown Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 93.00 - 97.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: Not available. Molecular Formula: C11H7FOS Molecular Weight: 206.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 579-49-7 unlisted. LD50/LC50: Not available. Carcinogenicity: (4-Fluorophenyl)-(2-thienyl) ketone - 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# 579-49-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 579-49-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 579-49-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S37/39-S26
• 海关编码: 2934999090

合成路线

188290-36-0 403-43-0 ~89% 579-49-7

文献：Zhao, Weili; Carreira, Erick M. Chemistry - A European Journal, 2007 , vol. 13, # 9 p. 2671 - 2688

5271-67-0 437-29-6 ~79% 579-49-7

文献：Rao, Maddali L.N.; Venkatesh, Varadhachari; Banerjee, Debasis Tetrahedron, 2007 , vol. 63, # 52 p. 12917 - 12926

6165-68-0 459-57-4 ~% 579-49-7 151917-31-6

文献：Advanced Synthesis and Catalysis, , vol. 346, # 13-15 p. 1836 - 1843

5271-67-0 352-33-0 ~74% 579-49-7

文献：Dunst, Cora; Knochel, Paul Synlett, 2011 , # 14 art. no. S03411ST, p. 2064 - 2068

3437-95-4 201230-82-2 1765-93-1 ~88% 579-49-7

文献：Zhou, Qing; Wei, Shaohua; Han, Wei Journal of Organic Chemistry, 2014 , vol. 79, # 3 p. 1454 - 1460

1283075-99-9 5713-61-1 ~71% 579-49-7

文献：Akhbar, Ahmed R.; Chudasama, Vijay; Fitzmaurice, Richard J.; Powell, Lyn; Caddick, Stephen Chemical Communications, 2014 , vol. 50, # 6 p. 743 - 746

188290-36-0 456-22-4 ~10% 579-49-7

文献：Keumi, Takashi; Yoshimura, Kiichiro; Shimada, Masakazu; Kitajima, Hidehiko Bulletin of the Chemical Society of Japan, 1988 , vol. 61, p. 455 - 460

459-57-4 ~% 579-49-7

文献：Chemical Communications, , vol. 50, # 6 p. 743 - 746

上下游产品

上游产品  10
188290-36-0 403-43-0 5271-67-0 437-29-6
6165-68-0 459-57-4 352-33-0 3437-95-4
201230-82-2 1765-93-1
下游产品  3
141691-59-0 52779-57-4 63877-96-3

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%