中文名 | 1-(4-甲基苯基)-1-环己腈 |
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英文名 | 1-(4-Methylphenyl)-1-cyclohexanecarbonitrile |
中文别名 | 1-对甲苯基环己腈 |
英文别名 |
1-(4-methylphenyl)cyclohexane-1-carbonitrile
1-(P-TOLYL)-1-CYCLOHEXANECARBONITRILE 1-(p-Tolyl)cyclohexanecarbonitrile EINECS 214-888-4 |
密度 | 1 |
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沸点 | 342.6ºC at 760 mmHg |
分子式 | C14H17N |
分子量 | 199.29100 |
闪点 | 128.1ºC |
精确质量 | 199.13600 |
PSA | 23.79000 |
LogP | 3.72048 |
外观性状 | 透明无色至淡黄色液体 |
蒸汽压 | 7.43E-05mmHg at 25°C |
折射率 | 1.5302-1.5322 |
储存条件 | 密封储存,储存于阴凉、干燥的库房。 |
稳定性 | 常温常压下稳定,避免与不相容材料接触。 与强氧化剂反应。 |
计算化学 | 1.疏水参数计算参考值(XlogP):3.9 2.氢键供体数量:0 3.氢键受体数量:1 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23.8 7.重原子数量:15 8.表面电荷:0 9.复杂度:246 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:黄色或无色透明液体 2. 密度(g/mL,25℃):1 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):未确定 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,12mmHg):未确定 7. 折射率(n20/D):1.5302-1.5322 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,55ºC):未确定 12. 饱和蒸气压(kPa,25ºC):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:1-(4-Methylphenyl)cyclohexanecarbonitril Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. 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. 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. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 1206-13-9: 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: Clear liquid Color: clear, colorless Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: 1.0060g/cm3 Molecular Formula: C14H17N Molecular Weight: 199.29 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1206-13-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(4-Methylphenyl)-1-cyclohexanecarbonitrile - 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: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 1206-13-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1206-13-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1206-13-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
生态学数据: 对环境有危害,对水体有污染,禁止进入水体。
|
危害码 (欧洲) | Xn: Harmful; |
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风险声明 (欧洲) | R20/21/22;R36/37/38 |
安全声明 (欧洲) | 36/37/39-26 |
~78% 1206-13-9 |
文献:Yanagisawa, Arata; Nezu, Tetsuya; Mohri, Shin-Ichiro Organic Letters, 2009 , vol. 11, # 22 p. 5286 - 5289 |
~% 1206-13-9 |
文献:US5274104 A1, ; US 5274104 A |
~% 1206-13-9 |
文献:Journal of the American Chemical Society, , vol. 135, # 34 p. 12576 - 12579 |