39643-31-7

• 常用中文名：4-(三氟甲基硫代)苯胺
• 常用英文名：2-(1-Piperidinyl)aniline
• CAS号：39643-31-7
• 分子式：C₁₁H₁₆N₂
• 分子量：176.258
• 发布时间：2018-07-05 18:58:33
• 更新时间：2024-01-02 11:45:52

名称

• 中文名: 2-(1-哌啶基)苯胺
• 英文名: 2-(1-Piperidino)aniline
• 中文别名: 4-(三氟甲基硫代)苯胺; 2-哌啶苯胺
• 英文别名: 2-(1-Piperidinyl)aniline; 2-(piperidin-1-yl)aniline; 2-piperidin-1-ylaniline; MFCD00047467; N-(2-Aminophenyl)piperidine; Benzenamine, 2-(1-piperidinyl)-

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 313.0±25.0 °C at 760 mmHg
• 熔点: 44-48 °C
• 分子式: C₁₁H₁₆N₂
• 分子量: 176.258
• 闪点: 125.8±18.3 °C
• 精确质量: 176.131348
• PSA: 29.26000
• LogP: 1.70
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.590
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.2

  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:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积29.3

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:152

  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：晶体

  2. 密度（g/mL,25 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：44-47

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，1mm hg）：96-98

  7. 折射率：未确定

  8. 闪点（ºC）：96-98°C/1mm

  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,25ºC）：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：不能溶解的

MSDS

Name: 2-(1-Piperidino)aniline Material Safety Data Sheet Synonym: CAS: 39643-31-7 Section 1 - Chemical Product MSDS Name:2-(1-Piperidino)aniline Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39643-31-7 2-(1-Piperidino)aniline unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. Chronic: Not available. 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. 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. Wash mouth out with 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. 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: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 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# 39643-31-7: Personal Protective Equipment Eyes: Not available. 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: 96 deg C @1mmHg Freezing/Melting Point: 45 - 47 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: C11H16N2 Molecular Weight: 176.26 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, strong acids. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39643-31-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(1-Piperidino)aniline - 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: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 39643-31-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39643-31-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39643-31-7 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: 对水是稍微有危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): Xn,T,Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 危险品运输编码: 2811
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2933399090

合成路线

15822-77-2 ~88% 39643-31-7

文献：HAGIWARA, Masatoshi Patent: EP1712242 A1, 2006 ; Location in patent: Page/Page column 44 ;

5622-83-3 ~21% 39643-31-7 49809-51-0

文献：Shvidenko, Tatyana; Nazarenko, Kostiantyn; Shvidenko, Konstantin; Kostyuk, Aleksandr Tetrahedron Letters, 2014 , vol. 55, # 1 p. 279 - 281

110-89-4 ~% 39643-31-7

文献：Huisgen; Rist Justus Liebigs Annalen der Chemie, 1955 , vol. 594, p. 137,153

857374-62-0 ~% 39643-31-7

文献：Huisgen; Rist Justus Liebigs Annalen der Chemie, 1955 , vol. 594, p. 137,153

88-73-3 ~% 39643-31-7

文献：Huisgen; Rist Justus Liebigs Annalen der Chemie, 1955 , vol. 594, p. 137,153

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%