115761-79-0

• 常用中文名：1-(2,4-二氟苯基)哌嗪
• 常用英文名：1-(2,4-Difluorophenyl)piperazine
• CAS号：115761-79-0
• 分子式：C₁₀H₁₂F₂N₂
• 分子量：198.212
• 发布时间：2018-09-17 11:53:11
• 更新时间：2024-01-10 11:38:06
• 下载msds

名称

• 中文名: 1-(2,4-二氟苯基)哌嗪
• 英文名: 1-(2,4-Difluorophenyl)piperazine
• 中文别名: 二氟苯基哌嗪
• 英文别名: T6M DNTJ DR BF DF; 1-(2,4-difluoro-phenyl)piperazine; Piperazine, 1-(2,4-difluorophenyl)-; 1-(2,4-Difluorophenyl)piperazine; MFCD00082588; N-(2,4-Difluorophenyl)piperazine; 4-(2,4-difluorophenyl)piperazine; (2,4-difluorophenyl)piperazine

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 293.2±40.0 °C at 760 mmHg
• 熔点: 74-76
• 分子式: C₁₀H₁₂F₂N₂
• 分子量: 198.212
• 闪点: 131.1±27.3 °C
• 精确质量: 198.096848
• PSA: 15.27000
• LogP: 1.60
• 外观性状: 白色晶体或结晶粉末
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.511
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

  避免氧化物、空气
• 分子结构:

  1、摩尔折射率：49.79

  2、摩尔体积（cm³/mol）：166.1

  3、等张比容（90.2K）：403.6

  4、表面张力（dyne/cm）：34.8

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：19.73

  7、单一同位素质量：198.096855 Da

  8、标称质量：198 Da

  9、平均质量：198.2125 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.6

  2.氢键供体数量:1

  3.氢键受体数量:4

  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15.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:183

  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：白色固体

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：74-76

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,0.03KPa）：108-111

  7. 折射率：未确定

  8. 闪点（ºC）：108-111

  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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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：不溶于水

MSDS

Name: 1-(2 4-Difluorophenyl)piperazine 98% Material Safety Data Sheet Synonym: CAS: 115761-79-0 Section 1 - Chemical Product MSDS Name:1-(2 4-Difluorophenyl)piperazine 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 115761-79-0 1-(2,4-Difluorophenyl)piperazine 98% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW 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: 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: 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 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: 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# 115761-79-0: 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: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 100 deg C @0.5mbar 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: C10H12F2N2 Molecular Weight: 198.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, acid chlorides, acid anhydrides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 115761-79-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(2,4-Difluorophenyl)piperazine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 115761-79-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 115761-79-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 115761-79-0 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: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R23/24/25;R34
• 安全声明 (欧洲): S37/39-S26
• 危险品运输编码: UN2928
• 包装等级: II
• 危险类别: 6.1
• 海关编码: 2933599090

合成路线

110-85-0 348-57-2 ~42% 115761-79-0

文献：Guo, Dong; Xia, Lizi; Van Veldhoven, Jacobus P. D.; Hazeu, Marc; Mocking, Tamara; Brussee, Johannes; Ijzerman, Adriaan P.; Heitman, Laura H. ChemMedChem, 2014 , vol. 9, # 4 p. 752 - 761

57260-71-6 ~% 115761-79-0

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 24 p. 7381 - 7384

上下游产品

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110-85-0 348-57-2 57260-71-6
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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%