1555-66-4

• 常用中文名：N,N-二氰乙基苯胺
• 常用英文名：N,N-Bis(cyanoethyl)aniline
• CAS号：1555-66-4
• 分子式：C₁₂H₁₃N₃
• 分子量：199.25200
• 发布时间：2018-06-23 17:26:40
• 更新时间：2024-01-02 15:52:15
• 【用途一】
  用作染料中间体

名称

• 中文名: N,N-二氰乙基苯胺
• 英文名: 3-[N-(2-cyanoethyl)anilino]propanenitrile
• 英文别名: 3,3'-Phenylimino-di-propionitril; EINECS 216-306-4; N,N-Bis(2-cyanoethyl)aniline; bis-2-cyanoethyl aniline; MFCD00019855; 3,3'-(Phenylimino)dipropionitrile

物化性质

• 密度: 1.105g/cm3
• 沸点: 175 - 180 (0.3 torr)
• 熔点: 81-84 °C(lit.)
• 分子式: C₁₂H₁₃N₃
• 分子量: 199.25200
• 闪点: 189ºC
• 精确质量: 199.11100
• PSA: 50.82000
• LogP: 2.32036
• 外观性状: 固体
• 蒸汽压: 5.35E-07mmHg at 25°C
• 折射率: 1.567
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

• 分子结构:

  1、 摩尔折射率：58.92

  2、 摩尔体积（m³/mol）：180.2

  3、 等张比容（90.2K）：485.0

  4、 表面张力（dyne/cm）：52.4

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：23.35

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积50.8

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:241

  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：白色结晶粉末。

  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）：81-84

  5. 沸点（ºC,常压）：175-180

  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：易溶于有机溶剂、稀酸、稀碱，不溶于水。

MSDS

Name: n n-bis(Cyanoethyl)aniline 95% Material Safety Data Sheet Synonym: CAS: 1555-66-4 Section 1 - Chemical Product MSDS Name:n n-bis(Cyanoethyl)aniline 95% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1555-66-4 N,N-Bis(cyanoethyl)aniline 95% 216-306-4 Hazard Symbols: T N Risk Phrases: 20/21/22 40 50 48/23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Limited evidence of a carcinogenic effect. Very toxic to aquatic organisms. Toxic : danger of serious damage to health by prolonged exposure through inhalation, contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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: 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: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1555-66-4: 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: Powder Color: light beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 80 - 88 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: C12H13N3 Molecular Weight: 199.25 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, acetic anhydride, acid chlorides, carbon dioxide. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1555-66-4 unlisted. LD50/LC50: Not available. Carcinogenicity: N,N-Bis(cyanoethyl)aniline - 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: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: 3 IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: 3 RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T N Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 40 Limited evidence of a carcinogenic effect. R 48/23/24/25 Toxic : danger of serious damage to health by prolonged exposure through inhalation, contact with skin and if swallowed. R 50 Very toxic to aquatic organisms. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37 Wear suitable protective clothing and gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). S 61 Avoid release to the environment. Refer to special instructions/safety data sheets. WGK (Water Danger/Protection) CAS# 1555-66-4: No information available. Canada CAS# 1555-66-4 is listed on Canada's NDSL List. CAS# 1555-66-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1555-66-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对是水稍微有危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。

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• WGK德国: 3

合成路线

107-13-1 74497-02-2 ~% 1555-66-4

文献：Journal of the American Chemical Society, , vol. 74, p. 1096

107-13-1 74497-02-2 ~% 1555-66-4 2182-39-0

文献：Journal of the Chemical Society, , p. 67,71

120-07-0 ~% 1555-66-4

文献：Journal of the Chemical Society, , p. 1536,1542

151-50-8 553-27-5 ~% 1555-66-4

文献：Journal of the Chemical Society, , p. 1536,1542

64-19-7 107-13-1 74497-02-2 ~% 1555-66-4 详细

文献：Journal of the Chemical Society, , p. 67,71

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