4410-12-2

• 常用中文名：1-苄基高哌嗪
• 常用英文名：1-Benzyl-1,4-Diazepane
• CAS号：4410-12-2
• 分子式：C₁₂H₁₈N₂
• 分子量：190.28500
• 发布时间：2018-05-13 08:00:00
• 更新时间：2024-01-09 17:09:25
• 下载msds

名称

• 中文名: 1-苄基高哌嗪
• 英文名: 1-Benzyl-1,4-Diazepane
• 中文别名: 1-苄基-1,4-二氮杂庚烷; N-苄基高哌嗪; 1-苄基-1,4-二氮杂环庚烷
• 英文别名: 1-Benzyl-1,4-diazepane; 1-Benzylhomopiperazine; MFCD00800858

物化性质

• 密度: 1.028 g/mL at 25 °C
• 沸点: 93 °C
• 分子式: C₁₂H₁₈N₂
• 分子量: 190.28500
• 闪点: >230 °F
• 精确质量: 190.14700
• PSA: 15.27000
• LogP: 1.74860
• 外观性状: 无色液体
• 折射率: n20/D 1.547
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：59.13

  2、 摩尔体积（m³/mol）：189.5

  3、 等张比容（90.2K）：469.1

  4、 表面张力（dyne/cm）：37.4

  5、 极化率（10 ^-24cm ³）：23.44

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.5

  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、 拓扑分子极性表面积（TPSA）：15.3

  6、 重原子数量：14

  7、 表面电荷：0

  8、 复杂度：152

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：无色液体

  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）：不确定

  5. 沸点（ºC）：不确定

  6. 沸点（ºC,9mmHg）：108-110

  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. 蒸汽压（20ºC）：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-1 4-diazepane Material Safety Data Sheet Synonym: None Known CAS: 4410-12-2 Section 1 - Chemical Product MSDS Name:1-Benzyl-1 4-diazepane Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4410-12-2 1-Benzyl-1,4-diazepane 90+ unlisted Hazard Symbols: C Risk Phrases: 35 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes severe burns. Potential Health Effects Eye: Causes severe eye burns. Skin: Causes severe burns. Ingestion: Causes severe digestive tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Chronic exposure may cause effects similar to those of acute exposure. Section 4 - FIRST AID MEASURES Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse. Ingestion: If swallowed, do NOT induce vomiting. Get medical aid immediately. If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. 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: Use water spray, dry chemical, carbon dioxide, or appropriate foam. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes. Use only with adequate ventilation. Storage: Store in a tightly closed container. Corrosives area. Store under an inert atmosphere. 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# 4410-12-2: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: slight pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 93-96 deg C @ 0.2mmHg 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: C12H18N2 Molecular Weight: 190.3 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: None reported. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4410-12-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Benzyl-1,4-diazepane - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Fish: Pseudomonas putida: Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 2735 Packing Group: II IMO Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 2735 Packing Group: II RID/ADR Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 2735 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 35 Causes severe burns. Safety Phrases: S 6 Keep under nitrogen. S 23 Do not inhale gas/fumes/vapour/spray. 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# 4410-12-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4410-12-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4410-12-2 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：在皮肤和粘膜上造成腐蚀性影响，刺激皮肤和粘膜 在眼睛上面：强烈腐蚀性影响，刺激的影响 过敏作用：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: GHS07
• 信号词: Warning
• 危害声明: H302-H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn: Harmful;Xi: Irritant;C: Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: 2735
• WGK德国: 2
• 包装等级: III
• 危险类别: 8
• 海关编码: 2933990090

合成路线

505-66-8 5769-36-8 100-44-7 ~% 4410-12-2

文献：EP914319 B1, ; EP 0914319 B1

55186-89-5 ~% 4410-12-2

文献：Journal of Organic Chemistry, , vol. 19, p. 1855,1856, 1859

上下游产品

上游产品  4
505-66-8 5769-36-8 100-44-7 55186-89-5
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海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%