5676-81-3

• 常用中文名：N-(4-氟苯亚甲基)苯胺
• 常用英文名：n-(4-fluorobenzylidene)aniline
• CAS号：5676-81-3
• 分子式：C₁₃H₁₀FN
• 分子量：199.22400
• 发布时间：2018-03-05 08:00:00
• 更新时间：2024-01-04 10:54:23

名称

• 中文名: N-(4-氟苯亚甲基)苯胺
• 英文名: n-(4-fluorobenzylidene)aniline
• 中文别名: N-(4-氟亚苄基)苯胺
• 英文别名: 4-fluorobenzalaniline; MFCD00017971; 4-FLUOROBENZYLIDENEANILINE; 4-Fluorbenzylidenanilin; 4-fluorobenzaldehyde phenylimine

物化性质

• 密度: 1.035g/cm3
• 沸点: 296.169ºC at 760 mmHg
• 熔点: 40-44ºC
• 分子式: C₁₃H₁₀FN
• 分子量: 199.22400
• 闪点: 132.919ºC
• 精确质量: 199.08000
• PSA: 12.36000
• LogP: 3.57630
• 外观性状: 白色-微浅黄色晶体-粉末
• 折射率: 1.539
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  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）:无

  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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积12.4

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:201

  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：白色或黄色结晶性粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：40-44

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,0.07mmHg）：未确定

  7. 折射率(n20/D)：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（mmHg,20ºC）：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：不溶于水

MSDS

Name: N-(4-Fluorobenzylidene)aniline 98% Material Safety Data Sheet Synonym: CAS: 5676-81-3 Section 1 - Chemical Product MSDS Name:N-(4-Fluorobenzylidene)aniline 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5676-81-3 N-(4-Fluorobenzylidene)aniline 98% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in 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 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5676-81-3: 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: Crystalline powder Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: insoluble Specific Gravity/Density: Molecular Formula: C13H10FN Molecular Weight: 199.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5676-81-3 unlisted. LD50/LC50: Not available. Carcinogenicity: N-(4-Fluorobenzylidene)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 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: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 5676-81-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5676-81-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5676-81-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 海关编码: 2925290090

合成路线

459-56-3 98-95-3 ~80% 5676-81-3

文献：Chen, Jing; Huang, Shijun; Lin, Jin; Su, Weiping Applied Catalysis A: General, 2014 , vol. 470, p. 1 - 7

459-56-3 74497-02-2 ~64% 5676-81-3

文献：Zhang, Erlei; Tian, Haiwen; Xu, Sendong; Yu, Xiaochun; Xu, Qing Organic Letters, 2013 , vol. 15, # 11 p. 2704 - 2707

459-57-4 74497-02-2 ~76% 5676-81-3

文献：Simion, Alina; Simion, Cristian; Kanda, Tadeshige; Nagashima, Satoko; Mitoma, Yoshiharu; Yamada, Tomoko; Mimura, Keisuke; Tashiro, Masashi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 17 p. 2071 - 2078

459-56-3 74497-02-2 ~18% 5676-81-3 83444-25-1

文献：RSC Advances, , vol. 4, # 6 p. 2596 - 2600

71013-80-4 ~77% 5676-81-3

文献：Sivasubramanian, S.; Ramamoorthy, V.; Balasubramanian, G. Organic Preparations and Procedures International, 1995 , vol. 27, # 2 p. 221 - 224

459-57-4 100-46-9 ~91% 5676-81-3

文献：Mitchell, Laura; Gonzalez-Santiago, Berenice; Mowat, John P. S.; Gunn, Mary E.; Williamson, Patrick; Acerbi, Nadia; Clarke, Matthew L.; Wright, Paul A. Catalysis Science and Technology, 2013 , vol. 3, # 3 p. 606 - 617

622-37-7 ~% 5676-81-3

文献：Synlett, , # 11 p. 1565 - 1568

459-57-4 2325-27-1 ~% 5676-81-3

文献：Synlett, , # 11 p. 1565 - 1568

上下游产品

上游产品  7
459-56-3 98-95-3 459-57-4 71013-80-4
100-46-9 622-37-7 2325-27-1
下游产品  5
5216-31-9 148004-80-2 148004-81-3 2826-22-4
77384-56-6

海关

海关编码	2925290090
中文概述	2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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	2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%