2407-68-3

• 常用中文名：3-(二甲基氨)丙烯腈
• 常用英文名：2-Propenenitrile,3-(dimethylamino)-
• CAS号：2407-68-3
• 分子式：C₅H₈N₂
• 分子量：96.130
• 发布时间：2018-09-02 19:07:26
• 更新时间：2024-01-02 18:17:16

名称

• 中文名: 3-(二甲基胺)丙烯腈
• 英文名: 3-(dimethylamino)prop-2-enenitrile
• 中文别名: 3-(二甲基氨)丙烯腈; 3-(二甲氨基)丙烯腈
• 英文别名: 3-DMAAN; 3-Dimethylaminoacrylonitrile; n,n-dimethylaminoacrylonitrile; 2-Propenenitrile, 3-(dimethylamino)-, (2E)-; (2E)-3-(Dimethylamino)acrylonitrile; 3-(dimethylamino)-acrylonitril; 3-(Dimethylamino)acrylonitrile,c&3-dimethylamino-acrylnitrile; β-(Dimethylamino)acrylonitrile; 3-(dimethylamino)-2-propenenitril; 3-dimethylamino-2-acrylonitrile; Dimethylaminoacrylonitryl; 3-(DiMethylaMino)acrylonitrile; EINECS 219-305-7; 3-dimethylaminoprop-2-enenitrile; 2-Propenenitrile, 3-(dimethylamino)-

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 277.6±0.0 °C at 760 mmHg
• 分子式: C₅H₈N₂
• 分子量: 96.130
• 闪点: 131.9±9.1 °C
• 精确质量: 96.068748
• PSA: 27.03000
• LogP: 0.61
• 外观性状: 透明黄色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.461
• 储存条件:

  放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免氧化物，光，高温空气和水接触，

• 分子结构:

  1、 摩尔折射率：28.90

  2、 摩尔体积（m³/mol）：105.3

  3、 等张比容（90.2K）：252.2

  4、 表面张力（dyne/cm）：32.9

  5、 极化率（10 ^-24cm ³）：11.45

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.5

  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：1

  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：7

  8、 表面电荷：0

  9、 复杂度：105

  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：1

  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：黄色胺味的透明液体

  2. 密度（g/mL,20ºC）：0.947

  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 3mmHg）：76-80

  7. 折射率（nD20）：1.533

  8. 闪点（ºC）：125

  9. 比旋光度（,）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,50ºC）：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：未确定

MSDS

Name: 3-(Dimethylamino)acrylonitrile Material Safety Data Sheet Synonym: N,N-Dimethylaminoacrylonitrile; beta-(Dimethylamino)acrylonitrile CAS: 2407-68-3 Section 1 - Chemical Product MSDS Name:3-(Dimethylamino)acrylonitrile Material Safety Data Sheet Synonym:N,N-Dimethylaminoacrylonitrile; beta-(Dimethylamino)acrylonitrile Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2407-68-3 3-(Dimethylamino)acrylonitrile >95 219-305-7 Hazard Symbols: XN Risk Phrases: 22 36/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Irritating to eyes and skin.Light sensitive. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. 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 immediately. 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: 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. Fire or excessive heat may result in violent rupture of the container due to bulk polymerization. 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: 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 breathing vapor or mist. Pure vapor will be uninhibited and may polymerize in vents or other confined spaces. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. See 29CFR 1910.1045 for regulations applying to all occupational exposures to acrylonitrile. Exposure Limits CAS# 2407-68-3: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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: Liquid Color: colorless Odor: amine-like pH: 10.1 @saturated sol. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 94 deg C @ 2.25 mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: 475 deg C ( 887.00 deg F) Flash Point: 125 deg C ( 257.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Not available. Specific Gravity/Density: 0.88 Molecular Formula: C5H8N2 Molecular Weight: 96.13 Section 10 - STABILITY AND REACTIVITY Chemical Stability: May polymerize. Conditions to Avoid: Light, temperatures above 200C, exposure to moist air or water, confined spaces. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: May occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2407-68-3: UD1302500 LD50/LC50: CAS# 2407-68-3: Oral, rat: LD50 = 946 mg/kg. Carcinogenicity: 3-(Dimethylamino)acrylonitrile - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. R 36/38 Irritating to eyes 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# 2407-68-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2407-68-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2407-68-3 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: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境 CHEMICAL IDENTIFICATION RTECS NUMBER : UD1302500 CHEMICAL NAME : 2-Propenenitrile, 3-(dimethylamino)- CAS REGISTRY NUMBER : 2407-68-3 LAST UPDATED : 199709 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C5-H8-N2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 946 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Skin and Appendages - hair REFERENCE : ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S98,1996

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): 26-36
• 危险品运输编码: UN 3276 6.1/PG 2
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2926909090

合成路线

4637-24-5 372-09-8 ~99% 2407-68-3

文献：Vorbrueggen, Helmut Synlett, 2008 , # 11 p. 1603 - 1617

73233-19-9 4637-24-5 ~% 2407-68-3

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 18, # 15 p. 4388 - 4392

3721-37-7 124-40-3 ~% 2407-68-3

文献：Journal of Organic Chemistry, , vol. 29, p. 1800 - 1808

上下游产品

上游产品  5
4637-24-5 372-09-8 73233-19-9 3721-37-7
124-40-3
下游产品  0

海关

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%