2249-28-7

• 常用中文名：4-[3-(三氟甲基)苯基]-4-哌啶
• 常用英文名：4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
• CAS号：2249-28-7
• 分子式：C₁₂H₁₄F₃NO
• 分子量：245.241
• 发布时间：2018-12-30 18:26:11
• 更新时间：2024-01-03 07:34:51

• 医药氟哌多的中间体。

名称

• 中文名: 4-(3-三氟甲基)苯基-4-哌啶醇
• 英文名: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
• 中文别名: 4-[3-(三氟甲基)苯基]-4-哌啶
• 英文别名: 4-pound 3-Trifluoromethylphenyl)-4-piperidinol; 4-Piperidinol, 4-[3-(trifluoromethyl)phenyl]-; 4-(3-Trifuoromethyl)phenyl-4-piperidinol; EINECS 218-840-3; 4-[3-(Trifluoromethyl)phenyl]-4-piperidinol; 4-��3-Trifluoromethylphenyl)-4-piperidinol; 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol; 4-(3-trifluoromethylphenyl)-4-hydroxypiperidine; 4-(3-(trifluoromethyl)phenyl)piperidin-4-ol

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 301.8±42.0 °C at 760 mmHg
• 熔点: 91-95ºC
• 分子式: C₁₂H₁₄F₃NO
• 分子量: 245.241
• 闪点: 136.3±27.9 °C
• 精确质量: 245.102753
• PSA: 32.26000
• LogP: 1.75
• 外观性状: 淡黄色
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.498
• 储存条件:

  保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免氧化物，酸和水分接触

• 分子结构:

  1、 摩尔折射率：57.32

  2、 摩尔体积（m³/mol）：195.5

  3、 等张比容（90.2K）：474.7

  4、 表面张力（dyne/cm）：34.6

  5、 极化率（10 ^-24cm ³）：22.72

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:2

  3.氢键受体数量:5

  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32.3

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:261

  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/L,20ºC）：1.253

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：91-95

  5. 沸点（ºC,常压）：301

  6. 沸点（ºC 1mmHg）：未确定

  7. 折射率（nD20）：未确定

  8. 闪点（ºC）：136

  9. 比旋光度（）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,25ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）：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: 4-(3-(Trifluoromethyl)phenyl)-4-Piperidinol. 97% Material Safety Data Sheet Synonym: 4-(Alpha,Alpha,Alpha-Trifluoro-M-Tolyl)-4-Piperindinol CAS: 2249-28-7 Section 1 - Chemical Product MSDS Name:4-(3-(Trifluoromethyl)phenyl)-4-Piperidinol. 97% Material Safety Data Sheet Synonym:4-(Alpha,Alpha,Alpha-Trifluoro-M-Tolyl)-4-Piperindinol Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2249-28-7 4-(3-(Trifluoromethyl)phenyl)-4-Piperi 97 218-840-3 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. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. Do NOT use mouth-to-mouth resuscitation. 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. Runoff from fire control or dilution water may cause pollution. 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: 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 2249-28-7: 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: Crystalline powder Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 89.00 - 93.00 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: C12H14F3NO Molecular Weight: 245.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2249-28-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(3-(Trifluoromethyl)phenyl)-4-Piperidinol - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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. WGK (Water Danger/Protection) CAS# 2249-28-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2249-28-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2249-28-7 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

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 海关编码: 2933399090

上下游产品

上游产品  1
634464-86-1
下游产品  3
56108-27-1 6652-16-0 65040-68-8

制备

由1-苄基哌啶酮[4]和间溴三氟甲苯经加成、水解、氢解、催化氢化得到。

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%