4727-72-4

• 常用中文名：N-苄基-4-羟基哌啶
• 常用英文名：1-Benzylpiperidin-4-ol
• CAS号：4727-72-4
• 分子式：C₁₂H₁₇NO
• 分子量：191.270
• 发布时间：2018-09-07 08:31:32
• 更新时间：2024-01-02 13:33:19
• 医药中间体

名称

• 中文名: N-苄基-4-羟基哌啶
• 英文名: 1-Benzyl-4-hydroxypiperidine
• 中文别名: 1-苄基-4-哌啶醇; 1-苄基-4-羟基哌啶; N-苄基-4-哌啶醇
• 英文别名: N-Benzyl-4-hydroxy piperidine; 1-benzylpiperidin-4-ol; N-Benzyl-4-hydroxypiperidine; 1-Benzyl-4-piperidinol; EINECS 225-226-9; 4-Piperidinol, 1-(phenylmethyl)-; MFCD00006503

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 294.4±0.0 °C at 760 mmHg
• 熔点: 61-63 °C(lit.)
• 分子式: C₁₂H₁₇NO
• 分子量: 191.270
• 闪点: 123.5±16.5 °C
• 精确质量: 191.131012
• PSA: 23.47000
• LogP: 0.91
• 外观性状: 淡黄色晶体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.578
• 储存条件:

  常温，避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定，浅黄色晶体，可溶于水

• 分子结构:

  1、 摩尔折射率：57.38

  2、 摩尔体积（m³/mol）：172.8

  3、 等张比容（90.2K）：455.8

  4、 表面张力（dyne/cm）：48.4

  5、 极化率（10 ^-24cm ³）：22.74

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:2

  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23.5

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:158

  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：浅黄色晶体

  2. 密度：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：60-65

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,2mmHg）：127-128

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 1-Benzyl-4-Hydroxypiperidine 97% Material Safety Data Sheet Synonym: 1-Benzyl-4-Piperidino CAS: 4727-72-4 Section 1 - Chemical Product MSDS Name:1-Benzyl-4-Hydroxypiperidine 97% Material Safety Data Sheet Synonym:1-Benzyl-4-Piperidino Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4727-72-4 1-Benzyl-4-Hydroxypiperidine 97% 225-226-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Hygroscopic (absorbs moisture from the air).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: 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. Ingestion: 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. Get medical aid. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Keep container closed when not in use. 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# 4727-72-4: 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 and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: 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: Crystals Color: light yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 127.0 -128.0 deg C @ 2.00mmHg Freezing/Melting Point: 61.00 - 63.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H17NO Molecular Weight: 191.27 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, strong oxidants, heat. Incompatibilities with Other Materials: Strong oxidizing agents - moisture - strong acids. 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# 4727-72-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Benzyl-4-Hydroxypiperidine - 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# 4727-72-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4727-72-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4727-72-4 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: 主要的刺激性影响 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化影响 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301-H315-H319-H335
• 警示性声明: P261-P301 + P310-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T:Toxic
• 风险声明 (欧洲): R25;R36/37/38
• 安全声明 (欧洲): S26-S45-S37/39
• 危险品运输编码: UN 2811 6.1/PG 3
• WGK德国: 2
• 海关编码: 2933399090

上下游产品

上游产品  10
3612-20-2 50-00-0 17150-62-8 2905-56-8
90284-71-2 762-72-1 5382-16-1 100-39-0
100-46-9 20821-52-7
下游产品  10
3612-20-2 50541-93-0 28033-32-1 900512-07-4
67848-71-9 127806-46-6 175203-64-2 171722-92-2
171723-80-1 19015-37-3

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%