84254-97-7

• 常用中文名：N-苄基-4-氰基-4-(1-哌啶)-哌啶
• 常用英文名：1'-Benzyl-[1,4'-bipiperidine]-4'-carbonitrile
• CAS号：84254-97-7
• 分子式：C₁₈H₂₅N₃
• 分子量：283.41100
• 发布时间：2018-12-27 19:26:18
• 更新时间：2024-01-04 12:54:34

名称

• 中文名: N-苄基-4-氰基-4-(1-哌啶)-哌啶
• 英文名: 1'-Benzyl-[1,4'-bipiperidine]-4'-carbonitrile
• 英文别名: 1-benzyl-4-piperidin-1-ylpiperidine-4-carbonitrile; EINECS 282-544-0

物化性质

• 沸点: 418.2ºC at 760 mmHg
• 熔点: 103-106ºC
• 分子式: C₁₈H₂₅N₃
• 分子量: 283.41100
• 闪点: 175.2ºC
• 精确质量: 283.20500
• PSA: 30.27000
• LogP: 2.90648
• 储存条件:

  密闭于0-6 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：85.95

  2、 摩尔体积（m³/mol）：256.2

  3、 等张比容（90.2K）：683.8

  4、 表面张力（dyne/cm）：50.7

  5、 极化率（10 ^-24cm ³）：34.07

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积30.3

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:363

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：103-106

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: N-Benzyl-4-cyano-4-(1-piperidino)-piperidine Material Safety Data Sheet Synonym: 1'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitril CAS: 84254-97-7 Section 1 - Chemical Product MSDS Name:N-Benzyl-4-cyano-4-(1-piperidino)-piperidine Material Safety Data Sheet Synonym:1'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitril Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 84254-97-7 N-Benzyl-4-cyano-4-(1-piperidino)-pipe 282-544-0 Hazard Symbols: T Risk Phrases: 25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: No information regarding eye irritation and other potential effects was found. Skin: No information regarding skin irritation and other potential effects was found. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Chronic: Not available. 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 immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. 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: 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical 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. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 84254-97-7: 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: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 103 - 105 deg C Autoignition Temperature: 270 deg C ( 518.00 deg F) Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: 2 G/L (20C) Specific Gravity/Density: Molecular Formula: Molecular Weight: 283.40 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 84254-97-7 unlisted. LD50/LC50: Not available. Carcinogenicity: N-Benzyl-4-cyano-4-(1-piperidino)-piperidine - 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: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 25 Toxic if swallowed. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. 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# 84254-97-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 84254-97-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 84254-97-7 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 海关编码: 2933399090

合成路线

110-89-4 3612-20-2 75-86-5 ~% 84254-97-7

文献：US2007/219214 A1, ; Page/Page column 27 ; US 20070219214 A1

3612-20-2 6091-44-7 ~% 84254-97-7

文献：US5780466 A1, ; US 5780466 A

3612-20-2 ~% 84254-97-7

文献：Farmaco, Edizione Scientifica, , vol. 39, # 7 p. 599 - 611

3612-20-2 143-33-9 6091-44-7 ~% 84254-97-7

文献：US2004/180890 A1, ; Page/Page column 4; 12 ; US 20040180890 A1

110-89-4 6094-60-6 ~72% 84254-97-7

文献：Iorio; Molinari; Scotti de Carolis; Niglio Farmaco, Edizione Scientifica, 1984 , vol. 39, # 7 p. 599 - 611

上下游产品

上游产品  6
110-89-4 3612-20-2 75-86-5 143-33-9
6091-44-7 6094-60-6
下游产品  1
1762-50-1

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%