108-49-6

• 常用中文名：2,6-二甲基哌嗪
• 常用英文名：2,6-Dimethylpiperazin
• CAS号：108-49-6
• 分子式：C₆H₁₄N₂
• 分子量：114.189
• 相关类别： 医药中间体 杂环化合物 哌嗪类化合物
• 发布时间：2018-05-09 08:00:00
• 更新时间：2024-01-02 20:51:50
• 【用途一】
  用作医药中间体，主要用于合成氟喹诺酮类药物斯帕沙星

名称

• 中文名: 2,6-二甲基哌嗪
• 英文名: 2,6-Dimethylpiperazine
• 中文别名: 顺-2,6-二甲基胡椒嗪
• 英文别名: 2,6-Dimethylpiperazine; 3,5-dimethylpiperazine; MFCD07772435; cis-2,6-dimethyl piperazine; 2,6-Dimethylpiperazin; Piperazine, 2,6-dimethyl-; 2,6-di-methylpiperazine; Piperazine,2,6-dimethyl; cis-3,5-dimethyl piperazine; Piperazine,6-dimethyl; EINECS 203-588-9

物化性质

• 密度: 0.8±0.1 g/cm3
• 沸点: 161.1±8.0 °C at 760 mmHg
• 熔点: 108-111 °C(lit.)
• 分子式: C₆H₁₄N₂
• 分子量: 114.189
• 闪点: 45.0±0.0 °C
• 精确质量: 114.115700
• PSA: 24.06000
• LogP: -0.19
• 外观性状: 赭色结晶粉末
• 蒸汽压: 2.3±0.3 mmHg at 25°C
• 折射率: 1.413
• 储存条件:

  储存于阴凉、通风的库房。远离火种、热源、水源。包装要求密封，不可与空气接触。应与氧化剂分开存放，切忌混储。采用防爆型照明、通风设施。禁止使用易产生火花的机械设备和工具。储区应备有泄漏应急处理设备和合适的收容材料。

• 稳定性:

  避免与光、氧化物、水接触。

• 分子结构:

  1、 摩尔折射率：34.55

  2、 摩尔体积（cm³/mol）：138.5

  3、 等张比容（90.2K）：304.4

  4、 表面张力（dyne/cm）：23.3

  5、 极化率（10-24cm3）：13.70

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0

  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:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积24.1

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:64.9

  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:2

  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：淡黄色片状结晶。

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：108-111

  5. 沸点（ºC,常压）：162

  6. 沸点（ºC, kPa）：未确定

  7. 折射率（_D²⁰)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）: 未确定

  11. 蒸气压（mmHg, ºC）：未确定

  12. 饱和蒸气压（kPa, ºC）：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

MSDS

Name: 2 6-Dimethylpiperazine 97% cis Material Safety Data Sheet Synonym: CAS: 108-49-6 Section 1 - Chemical Product MSDS Name:2 6-Dimethylpiperazine 97% cis Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 108-49-6 2,6-Dimethylpiperazine 97% 203-588-9 Hazard Symbols: XI F Risk Phrases: 11 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Highly flammable. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Will burn if involved in a fire. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. Flammable solid. Extinguishing Media: Use water spray to cool fire-exposed containers. Use water fog, dry chemical, carbon dioxide or alcohol type 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. Remove all sources of ignition. Use a spark-proof tool. Section 7 - HANDLING and STORAGE Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-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# 108-49-6: 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: Crystalline powder Color: ochre Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 162 deg C @ 760.0 Freezing/Melting Point: 106-111 deg C Autoignition Temperature: Not available. Flash Point: 44 deg C ( 111.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Slightly soluble. Specific Gravity/Density: Molecular Formula: C6H14N2 Molecular Weight: 114.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, light, ignition sources, exposure to moist air or water. Incompatibilities with Other Materials: Strong 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# 108-49-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,6-Dimethylpiperazine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.* Hazard Class: 4.1 UN Number: 1325 Packing Group: II IMO Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S. Hazard Class: 4.1 UN Number: 1325 Packing Group: II RID/ADR Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S. Hazard Class: 4.1 UN Number: 1325 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI F Risk Phrases: R 11 Highly flammable. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 16 Keep away from sources of ignition - No smoking. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 33 Take precautionary measures against static discharges. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 108-49-6: No information available. Canada CAS# 108-49-6 is listed on Canada's NDSL List. CAS# 108-49-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 108-49-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对水有稍微的危害。

安全

• 符号: GHS02, GHS07
• 信号词: Danger
• 危害声明: H228-H315-H319-H335
• 警示性声明: P210-P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): F:Flammable;Xi:Irritant;
• 风险声明 (欧洲): R11;R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: UN 1325 4.1/PG 2
• WGK德国: 3
• 包装等级: III
• 危险类别: 4.1
• 海关编码: 2933599090

合成路线

50-70-4 ~% 109-07-9 107-15-3 78-90-0 详细

文献：US2010/311973 A1, ; Page/Page column 11 ;

50-99-7 ~% 110-85-0 109-07-9 107-15-3 详细

文献：US2010/311973 A1, ; Page/Page column 11 ;

50-70-4 ~% 110-85-0 109-07-9 107-15-3 详细

文献：US2010/311973 A1, ; Page/Page column 10 ;

56-81-5 ~% 110-85-0 2811-20-3 21291-99-6 详细

文献：US2010/240894 A1, ; Page/Page column 10 ;

56-81-5 ~% 6168-72-5 2811-20-3 21291-99-6 详细

文献：US2010/240894 A1, ; Page/Page column 13-15 ;

56-81-5 ~% 6168-72-5 2811-20-3 21291-99-6 详细

文献：US2010/240894 A1, ; Page/Page column 12-13; 14 ;

55380-34-2 ~% 108-49-6

文献：Journal of Organic Chemistry, , vol. 45, # 24 p. 4931 - 4935

67774-31-6 ~% 108-49-6

文献：Journal of Organic Chemistry, , vol. 45, # 24 p. 4931 - 4935

592-20-1 7664-41-7 7732-18-5 ~% 108-49-6

文献：Yuki Gosei Kagaku Kyokaishi, , vol. 17, p. 131,132, 135 Chem.Abstr., , p. 11392

上下游产品

上游产品  8
50-70-4 50-99-7 56-81-5 55380-34-2
67774-31-6 592-20-1 7664-41-7 7732-18-5
下游产品  5
331652-58-5 103460-90-8 129779-30-2 93107-34-7
639068-43-2

海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%