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| 中文名 | 1-[2-硝基-4-(三氟甲基)苯基]哌啶 |
|---|---|
| 英文名 | 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine |
| 英文别名 | 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine |
| 密度 | 1.324g/cm3 |
|---|---|
| 沸点 | 342.8ºC at 760mmHg |
| 熔点 | 48-50ºC |
| 分子式 | C12H13F3N2O2 |
| 分子量 | 274.23900 |
| 闪点 | 161.1ºC |
| 精确质量 | 274.09300 |
| PSA | 49.06000 |
| LogP | 4.19210 |
| 蒸汽压 | 7.34E-05mmHg at 25°C |
| 折射率 | 1.516 |
| 分子结构 | 1、 摩尔折射率：62.59 2、 摩尔体积（m3/mol）：207.0 3、 等张比容（90.2K）：519.8 4、 表面张力（dyne/cm）：39.7 5、 介电常数（F/m）：无可用 6、 极化率（10 -24cm 3）：24.81 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:3.6 2.氢键供体数量:0 3.氢键受体数量:6 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49.1 7.重原子数量:19 8.表面电荷:0 9.复杂度:324 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：未确定。 2. 密度（g/mL,25/4℃）： 未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：48-50 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）： 未确定 7. 折射率： 未确定 8. 闪点（ºC）： 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： 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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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# 1692-79-1: 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: Crystals Color: orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 48 - 50 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: C12H13F3N2O2 Molecular Weight: 274 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1692-79-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidine - 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 No information available. IMO No information available. RID/ADR No information available. 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# 1692-79-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1692-79-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1692-79-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S37/39 |
|
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1692-79-1 |
| 文献：HAGIWARA, Masatoshi Patent: EP1712242 A1, 2006 ; Location in patent: Page/Page column 18; 30 ; |
|
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1692-79-1 |
| 文献：HAGIWARA, Masatoshi Patent: EP1712242 A1, 2006 ; Location in patent: Page/Page column 18; 31 ; |
|
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1692-79-1 |
| 文献：Journal of the Chemical Society [Section] B: Physical Organic, , p. 1595 - 1600 |
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1692-79-1 |
| 文献：European Journal of Organic Chemistry, , # 8 p. 1378 - 1383 |
