40172-95-0

• 常用中文名：1-(2-糠酰)哌嗪
• 常用英文名：1-(2-furoyl)piperazine
• CAS号：40172-95-0
• 分子式：C₉H₁₂N₂O₂
• 分子量：180.204
• 发布时间：2018-07-16 14:47:14
• 更新时间：2024-01-02 22:08:52
• 下载msds

名称

• 中文名: 1-(2-糠酰)哌嗪
• 英文名: 1-(2-Furoyl)piperazine
• 中文别名: N-(2-呋喃甲酰基)哌嗪; 2-糠酸哌嗪; 1-(2-呋喃甲酰基)哌嗪
• 英文别名: Methanone, 2-furanyl-1-piperazinyl-; Piperazine, 1-(2-furanylcarbonyl)-; 1-(2-furoyl)piperazine; furan-2-yl(piperazin-1-yl)methanone; 2-Furyl(1-piperazinyl)methanone; 2-Furyl(piperazin-1-yl)methanone; EINECS 254-823-7; MFCD00236012

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 320.3±32.0 °C at 760 mmHg
• 熔点: 67-70 °C(lit.)
• 分子式: C₉H₁₂N₂O₂
• 分子量: 180.204
• 闪点: 147.5±25.1 °C
• 精确质量: 180.089874
• PSA: 45.48000
• LogP: -0.17
• 外观性状: 白色至淡黄色固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.529
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.1

  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:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积45.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:190

  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：粉末

  2. 密度（g/mL,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：67-69

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，1mm hg）：137-140

  7. 折射率：未确定

  8. 闪点（ºC）：>230°F

  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,25ºC）：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：未确定

MSDS

Name: 1-(2-Furoyl)piperazine 98% Material Safety Data Sheet Synonym: 1-(2-Furanylcarbonyl)-piperazin CAS: 40172-95-0 Section 1 - Chemical Product MSDS Name:1-(2-Furoyl)piperazine 98% Material Safety Data Sheet Synonym:1-(2-Furanylcarbonyl)-piperazin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 40172-95-0 1-(2-Furoyl)piperazine 98 254-823-7 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. The toxicological properties of this material have not been fully investigated. Skin: Causes skin irritation. The toxicological properties of this material have not been fully investigated. Ingestion: The toxicological properties of this substance have not been fully investigated. Causes gastrointestinal tract irritation. 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 immediately. 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 immediately. 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 agent most appropriate to extinguish fire. 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, then place into a suitable container for disposal. 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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. 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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 40172-95-0: 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: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. 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: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 68 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H12N2O2 Molecular Weight: 180.21 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: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 40172-95-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(2-Furoyl)piperazine - 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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 40172-95-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 40172-95-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 40172-95-0 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: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36-S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2934999090

合成路线

527-69-5 142-63-2 ~59% 40172-95-0

文献：Synaptic Pharmaceutical Corporation Patent: US5508306 A1, 1996 ;

110-85-0 88-14-2 ~94% 40172-95-0

文献：Bandgar; Pandit Tetrahedron Letters, 2003 , vol. 44, # 19 p. 3855 - 3858

110-85-0 88-14-2 999-97-3 ~83% 40172-95-0

文献：Development Center for Biotechnology Patent: US6313293 B1, 2001 ;

110-85-0 611-13-2 ~62% 40172-95-0

文献：Brantford Chemicals Inc. Patent: US5919931 A1, 1999 ;

110-85-0 88-14-2 ~80% 31350-27-3 40172-95-0

文献：Chou, Wen-Chih; Chou, Ming-Chen; Lu, Yann-Yu; Chen, Shyh-Fong Tetrahedron Letters, 1999 , vol. 40, # 17 p. 3419 - 3422

110-85-0 614-99-3 ~86% 31350-27-3 40172-95-0

文献：Chou, Wen-Chih; Tan, Chang-Wei; Chen, Shyh-Fong; Ku, Hao Journal of Organic Chemistry, 1998 , vol. 63, # 26 p. 10015 - 10017

527-69-5 ~% 40172-95-0

文献：Zulli, Allison L.; Aimone, Lisa D.; Mathiasen, Joanne R.; Gruner, John A.; Raddatz, Rita; Bacon, Edward R.; Hudkins, Robert L. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 8 p. 2807 - 2810

527-69-5 57260-71-6 ~% 40172-95-0

文献：Boschi; Di Stilo; Fruttero; Medana; Sorba; Gasco Archiv der Pharmazie, 1994 , vol. 327, # 10 p. 661 - 667

110-85-0 527-69-5 ~% 40172-95-0

文献：Novelli; Sparatore Farmaco, 1996 , vol. 51, # 8-9 p. 551 - 558

上下游产品

上游产品  8
527-69-5 142-63-2 110-85-0 88-14-2
999-97-3 611-13-2 614-99-3 57260-71-6
下游产品  5
111218-71-4 111218-75-8 111218-74-7 111218-73-6
67817-56-5

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%