25519-80-6
25519-80-6结构式
- 常用中文名：苯基(哌啶-4-基)甲酮盐酸盐
- 常用英文名：4-Benzoyl Piperidine HCL
- CAS号：25519-80-6
- 分子式：C12H16ClNO
- 分子量：225.714
- 发布时间：2018-09-22 11:44:18
- 更新时间：2024-01-02 19:43:32
| 中文名 | 4-苄氧基哌啶盐酸盐 |
|---|---|
| 英文名 | 4-benzoylpiperidine hydrochloride |
| 中文别名 |
4-苯甲酰哌啶盐酸盐
4-苯甲酰基哌啶盐酸盐 |
| 英文别名 |
Methanone, phenyl-4-piperidinyl-, hydrochloride (1:1)
Phenyl(piperidin-4-yl)methanonhydrochlorid Phenyl(4-piperidinyl)methanone HCl 4-(benzoyl)piperidine hydrochloride phenyl(4-piperidyl)methanoneHCl PHENYL-PIPERIDIN-4-YL-METHANONE HYDROCHLORIDE 4-Benzoyl Piperidine HCL Phenyl(4-piperidinyl)methanone hydrochloride phenyl(4-piperidyl)methanone hydrochloride 4-benzoylpiperidine hydrochloric acid salt Phenyl 4-Piperidyl Ketone Hydrochloride PHENYL(4-PIPERIDINYL)METHANONE Phenyl(4-piperidinyl)methanone hydrochloride (1:1) Phenyl(piperidin-4-yl)methanone hydrochloride Phenyl(piperidin-4-yl)methanone hydrochloride (1:1) 4-Benzoylpiperidine hydrochloride 4-benzoylpiperidinium chloride 4-benzoylpiperidine hydrogen chloride |
| 沸点 | 310.7ºC at 760 mmHg |
|---|---|
| 熔点 | 95-97ºC |
| 分子式 | C12H16ClNO |
| 分子量 | 225.714 |
| 闪点 | 125.3ºC |
| 精确质量 | 225.092041 |
| PSA | 29.10000 |
| LogP | 2.99970 |
| 蒸汽压 | 0.000589mmHg at 25°C |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 如果遵照规格使用和储存则不会分解 避免接触氧化物 |
| 分子结构 | 1、 摩尔折射率：56.05 2、 摩尔体积（m3/mol）：179.5 3、 等张比容（90.2K）：452.6 4、 表面张力（dyne/cm）：40.4 5、 极化率（10-24cm3）：22.22 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:2 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:2 6.拓扑分子极性表面积29.1 7.重原子数量:15 8.表面电荷:0 9.复杂度:191 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：未确定 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：95-97 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：未确定 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（kpa,20ºC）：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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Not available. Skin: Not available. Ingestion: Not available. Inhalation: Not available. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Not available. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Exposure Limits CAS# 25519-80-6: Personal Protective Equipment Eyes: Not available. Skin: Not available. Clothing: Not available. Respirators: Not available. 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: 95 - 97 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: C7H3Br2N Molecular Weight: 261 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Not available. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 25519-80-6 unlisted. LD50/LC50: Not available. Carcinogenicity: phenyl(4-piperidyl)methanone hydrochloride - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: WGK (Water Danger/Protection) CAS# 25519-80-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 25519-80-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 25519-80-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境
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| 危害码 (欧洲) | Xi |
|---|---|
| 海关编码 | 2933399090 |
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~97%
25519-80-6 |
| 文献：TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2008/11130 A2, 2008 ; Location in patent: Page/Page column 147 ; WO 2008/011130 A2 |
| 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% |