58315-38-1

• 常用中文名：3-硝基-4-(哌嗪-1-基)苯三氟
• 常用英文名：N-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
• CAS号：58315-38-1
• 分子式：C₁₁H₁₂F₃N₃O₂
• 分子量：275.22700
• 发布时间：2018-12-27 19:06:24
• 更新时间：2024-01-06 21:53:53

• 主要用于医药中间体，有机合成，有机溶剂，也可用于染料生产，农药生产及香料方面。

名称

• 中文名: N-[2-硝基-4-(三氟甲基)苯基]哌嗪
• 英文名: 1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
• 中文别名: N-[2-硝基-4-(三氟甲基)苯基]哌嗪
• 英文别名: 1-(2-Nitro-4-trifluoromethylphenyl)-piperazine; N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine; MFCD00052613; [2-nitro-4-(trifluoromethyl)phenyl]piperazine

物化性质

• 密度: 1.355g/cm3
• 沸点: 370ºC at 760 mmHg
• 熔点: 65 °C
• 分子式: C₁₁H₁₂F₃N₃O₂
• 分子量: 275.22700
• 闪点: 177.6ºC
• 精确质量: 275.08800
• PSA: 61.09000
• LogP: 2.94020
• 折射率: 1.515
• 储存条件:

  在密封的贮藏器内，并放置阴凉，干燥的地方避光保存

• 稳定性:

  避免接触水

• 分子结构:

  1、 摩尔折射率：61.33

  2、 摩尔体积（m³/mol）：203.0

  3、 等张比容（90.2K）：508.0

  4、 表面张力（dyne/cm）：39.1

  5、 极化率（10^-24cm³）：24.31

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:无

  3.氢键受体数量:无

  4.可旋转化学键数量:无

  5.互变异构体数量:无

  6.拓扑分子极性表面积无

  7.重原子数量:无

  8.表面电荷:无

  9.复杂度:无

  10.同位素原子数量:无

  11.确定原子立构中心数量:无

  12.不确定原子立构中心数量:无

  13.确定化学键立构中心数量:无

  14.不确定化学键立构中心数量:无

  15.共价键单元数量:无

• 更多:

  1. 性状：未确定

  2. 密度（g/cm³ 20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：65

  5. 沸点（ºC）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（℉）：未确定

  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（25℃）：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(mg/mL)：水：未确定

MSDS

Name: 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine 97% Material Safety Data Sheet Synonym: CAS: 58315-38-1 Section 1 - Chemical Product MSDS Name:1-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 58315-38-1 1-[2-Nitro-4-(trifluoromethyl)phenyl]p 97% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: 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: Vacuum or sweep up material and place into a suitable disposal 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# 58315-38-1: 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: orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 68 - 69 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: C11H12F3N3O2 Molecular Weight: 275 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Acid chlorides, oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 58315-38-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-[2-Nitro-4-(trifluoromethyl)phenyl]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 Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.* Hazard Class: 8 UN Number: 3259 Packing Group: III IMO Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 3259 Packing Group: III RID/ADR Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S. Hazard Class: 8 UN Number: 3259 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: 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# 58315-38-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 58315-38-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 58315-38-1 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
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2933599090

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%