318280-71-6

• 常用中文名：1-(2-氯乙酰基)-4-哌啶甲酸乙酯
• 常用英文名：ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
• CAS号：318280-71-6
• 分子式：C₁₀H₁₆ClNO₃
• 分子量：233.69200
• 发布时间：2018-10-07 13:40:18
• 更新时间：2024-01-29 20:26:36

名称

• 中文名: 1-(2-氯乙酰基)-4-哌啶甲酸乙酯
• 英文名: ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
• 中文别名: 1-(2-氯乙酰基)哌啶-4-羧酸乙酯
• 英文别名: MFCD01480849; f9995-0710

物化性质

• 密度: 1.202g/cm3
• 沸点: 345.8ºC at 760 mmHg
• 分子式: C₁₀H₁₆ClNO₃
• 分子量: 233.69200
• 闪点: 162.9ºC
• 精确质量: 233.08200
• PSA: 46.61000
• LogP: 0.96480
• 折射率: 1.49
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：56.26

  2、 摩尔体积（cm³/mol）：194.2

  3、 等张比容（90.2K）：494.8

  4、 表面张力（dyne/cm）：42.1

  5、 极化率（10-24cm3）：22.30

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.1

  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:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积46.6

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:237

  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

MSDS

Name: Ethyl 1-(2-chloroacetyl)-4-piperidinecarboxylate 97% Material Safety Data Sheet Synonym: CAS: 318280-71-6 Section 1 - Chemical Product MSDS Name:Ethyl 1-(2-chloroacetyl)-4-piperidinecarboxylate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 318280-71-6 Ethyl 1-(2-chloroacetyl)-4-piperidinec 97% unlisted Hazard Symbols: C Risk Phrases: 20/21/22 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Harmful if absorbed through the skin. Causes skin burns. Ingestion: Harmful if swallowed. Causes gastrointestinal tract burns. Inhalation: Harmful if inhaled. Causes chemical burns to the respiratory tract. 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: Do not induce vomiting. 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. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 318280-71-6: 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: Viscous liquid Color: pale yellow Odor: odorless - slight odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C10H16ClNO3 Molecular Weight: 233.69 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 318280-71-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 1-(2-chloroacetyl)-4-piperidinecarboxylate - 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: CORROSIVE LIQUID, N.O.S.* Hazard Class: 8 UN Number: 1760 Packing Group: III IMO Shipping Name: CORROSIVE LIQUID, N.O.S. Hazard Class: 8 UN Number: 1760 Packing Group: III RID/ADR Shipping Name: CORROSIVE LIQUID, N.O.S. Hazard Class: 8 UN Number: 1760 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 318280-71-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 318280-71-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 318280-71-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): C,Xi
• 风险声明 (欧洲): R20/21/22;R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 海关编码: 2933399090

合成路线

1126-09-6 79-04-9 ~% 318280-71-6

文献：US6569854 B1, ;

上下游产品

上游产品  2
1126-09-6 79-04-9
下游产品  1
318280-69-2

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%