1683-49-4

• 常用中文名：4-(3-(三氟甲基)苯基)哌啶-4-醇盐酸盐
• 常用英文名：4-[3-(Trifluoromethyl)phenyl]-4-piperidinol hydrochloride
• CAS号：1683-49-4
• 分子式：C₁₂H₁₅ClF₃NO
• 分子量：281.70200
• 发布时间：2019-01-01 19:45:13
• 更新时间：2024-07-19 12:40:47

名称

• 中文名: 4-[3-(三氟甲基)苯基]-4-哌啶醇盐酸盐
• 英文名: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol,hydrochloride
• 英文别名: 4-Piperidinol,4-(3-(trifluoromethyl)phenyl)-,hydrochloride; 4-[3-(Trifluoromethyl)phenyl]-4-piperidinol hydrochloride; EINECS 216-863-3; 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol hydrochloride; 4-(3-(Trifluoromethyl)phenyl)piperidin-4-ol hydrochloride

物化性质

• 密度: 1.253g/cm3
• 沸点: 301.8ºC at 760mmHg
• 熔点: 168.5-169.5 ºC
• 分子式: C₁₂H₁₅ClF₃NO
• 分子量: 281.70200
• 闪点: 136.3ºC
• 精确质量: 281.07900
• PSA: 32.26000
• LogP: 3.40720
• 蒸汽压: 0.000456mmHg at 25°C
• 折射率: 1.496
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性: 常温常压下稳定，避免与不相容材料接触。

  与强氧化剂反应。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  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:18

  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:2

• 更多:

  1. 性状：灰白色或米色粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：190-196

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,10mmHg）：未确定

  7. 折射率(n20/D)：1.496

  8. 闪点（ºC）：未确定

  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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：溶于水

MSDS

Name: 4-3-(Trifluoromethyl)Phenyl-4-Piperidino L Hydrochloride 99% (TLC) Material Safety Data Sheet Synonym: None CAS: 1683-49-4 Section 1 - Chemical Product MSDS Name:4-3-(Trifluoromethyl)Phenyl-4-Piperidino L Hydrochloride 99% (TLC) Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1683-49-4 4-[3-(Trifluoromethyl)Phenyl]-4-Piperi 99 216-863-3 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. Skin: Causes skin irritation. Ingestion: Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. 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: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. 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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. 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# 1683-49-4: 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 minimize contact with skin. 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: slightly beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 171.00 - 173.00 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: C12H14F3NO.HCl Molecular Weight: 281.70 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide, fluoride fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1683-49-4: TN7872000 LD50/LC50: Not available. Carcinogenicity: 4-[3-(Trifluoromethyl)Phenyl]-4-Piperidino L Hydrochloride - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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. WGK (Water Danger/Protection) CAS# 1683-49-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1683-49-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1683-49-4 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

毒理学数据: 1、急性毒性：小鼠经静脉LD50：62500μg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : TN7872000 CHEMICAL NAME : 4-Piperidinol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride CAS REGISTRY NUMBER : 1683-49-4 LAST UPDATED : 198703 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C12-H14-F3-N-O.Cl-H MOLECULAR WEIGHT : 281.73 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 62500 ug/kg TOXIC EFFECTS : Behavioral - excitement REFERENCE : CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 38,3879,1973

安全

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

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%