5351-04-2
5351-04-2结构式
- 常用中文名：3-(二乙氨基)丙腈
- 常用英文名：3-(diethylamino)propionitrile
- CAS号：5351-04-2
- 分子式：C7H14N2
- 分子量：126.19900
- 相关类别： 化学试剂 有机试剂 氰化物/腈
- 发布时间：2018-09-02 18:33:25
- 更新时间：2024-01-09 14:42:58
| 中文名 | 3-二乙氨基丙腈 |
|---|---|
| 英文名 | 3-(diethylamino)propanenitrile |
| 中文别名 | N-(2-氰乙基)二乙胺 |
| 英文别名 | 3-Diethylaminopropiononitrile |
| 密度 | 0.86 |
|---|---|
| 沸点 | 197 °C |
| 熔点 | -64 ℃ |
| 分子式 | C7H14N2 |
| 分子量 | 126.19900 |
| 闪点 | 79 °C |
| 精确质量 | 126.11600 |
| PSA | 27.03000 |
| LogP | 1.24188 |
| 折射率 | 1.4345-1.4365 |
| 储存条件 | 避光，阴凉干燥处，密封保存 |
| 稳定性 | 常温常压下稳定 |
| 分子结构 | 分子性质数据： 1、 摩尔折射率：38.98 2、 摩尔体积（m3/mol）：154.3 3、 等张比容（90.2K）：356.1 4、 表面张力（dyne/cm）：28.3 5、 极化率（10 -24cm 3）：15.45 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：0.7 2、 氢键供体数量：0 3、 氢键受体数量：2 4、 可旋转化学键数量：4 5、 互变异构体数量： 6、 拓扑分子极性表面积（TPSA）：27 7、 重原子数量：9 8、 表面电荷：0 9、 复杂度：96.7 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℃）：0.86 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：-64 5. 沸点（ºC,常压）：197 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：1.4345-1.4365 8. 闪点（℃）：79 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:None known 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. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin irritation. May cause irritation and dermatitis. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Can produce delayed pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: Effects may be delayed. 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. 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. Do NOT use mouth-to-mouth resuscitation. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. 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. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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# 5351-04-2: 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: Liquid Color: light yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 197 deg C @ 760.00mm Hg Freezing/Melting Point: -64 deg C Autoignition Temperature: 285 deg C ( 545.00 deg F) Flash Point: 79 deg C ( 174.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8650g/cm3 Molecular Formula: C7H14N2 Molecular Weight: 126.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5351-04-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(Diethylamino)propionitrile - 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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 5351-04-2: 2 Canada CAS# 5351-04-2 is listed on Canada's NDSL List. CAS# 5351-04-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5351-04-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境.
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|
~99%
5351-04-2 |
| 文献：Xu, Li-Wen; Li, Lyi; Xia, Chun-Gu Helvetica Chimica Acta, 2004 , vol. 87, # 6 p. 1522 - 1526 |
|
~82%
5351-04-2 |
| 文献：Zou, Bo; Jiang, Huan-Feng; Wang, Zhao-Yang European Journal of Organic Chemistry, 2007 , # 27 p. 4600 - 4604 |
|
~20%
5351-04-2
详细
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| 文献：Kim, Jin-Il; Patel, Babu A.; Heck, Richard F. Journal of Organic Chemistry, 1981 , vol. 46, # 6 p. 1067 - 1073 |
|
~%
5351-04-2 |
| 文献：Utermohlen; Hamilton Journal of the American Chemical Society, 1941 , vol. 63, p. 156,158 |
|
~%
5351-04-2 |
| 文献：Morimoto Takeda Kenkyusho Nenpo, 1950 , vol. 9, p. 20,21 Chem.Abstr., 1952 , p. 2489 |
|
~%
5351-04-2 |
| 文献：Butskus,P.F. J. Gen. Chem. USSR (Engl. Transl.), 1960 , vol. 30, p. 1816 - 1818,1799 - 1800 |
| 上游产品 8 | |
|---|---|
| 下游产品 10 | |
| 海关编码 | 2926909090 |
|---|---|
| 中文概述 | 2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |