31904-29-7

• 常用中文名：正丁基二茂铁
• 常用英文名：Butylferrocene
• CAS号：31904-29-7
• 分子式：C₁₄H₁₈Fe
• 分子量：242.138
• 相关类别： 有机原料 有机金属类化合物 有机铁
• 发布时间：2018-09-23 12:18:57
• 更新时间：2024-01-09 18:56:28

• 1、 用作电子工业的助剂

名称

• 中文名: 正丁基二茂铁
• 英文名: Butylferrocene
• 中文别名: 丁基二茂铁
• 英文别名: n-Butylcyclopentadienyl cyclopentadienyliron; Butylferrocene; 1,1'-di-n-butylferrocenium; EINECS 250-862-9; butyl-ferrocen; Ferrocene, butyl-; MFCD00001435; 1,1'-di-n-butylferrocene; N-BUTYLFERROCENE; Ferrocene,butyl

物化性质

• 密度: 1.172
• 沸点: 232 °C (630 mmHg)
• 熔点: 10 - 12ºC
• 分子式: C₁₄H₁₈Fe
• 分子量: 242.138
• 闪点: >110°C
• 精确质量: 242.075790
• LogP: 3.60090
• 外观性状: 暗橙色液体
• 折射率: 1.576-1.579
• 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

• 水溶解性: 不溶
• 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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:119

  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:3

• 更多:

  1. 性状：红色或黑色液体

  2. 密度（g/mL,20℃）：1.172

  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,84KPa）：232

  7. 折射率：n20/D 1.576-1.579

  8. 闪点（ºC）：>110

  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（Pa,20ºC）：5.3×10-2

  12. 饱和蒸气压（KPa,20ºC）：1

  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-Butylferrocene Material Safety Data Sheet Synonym: CAS: 31904-29-7 Section 1 - Chemical Product MSDS Name:n-Butylferrocene Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 31904-29-7 n-Butylferrocene 250-862-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Air sensitive. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 31904-29-7: 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: Liquid Color: orange - brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 232 deg C @ 630.00m Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: insoluble Specific Gravity/Density: Molecular Formula: Molecular Weight: 242.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to air. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 31904-29-7 unlisted. LD50/LC50: Not available. Carcinogenicity: n-Butylferrocene - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 31904-29-7: No information available. Canada CAS# 31904-29-7 is listed on Canada's DSL List. CAS# 31904-29-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 31904-29-7 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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。

安全

• 危害码 (欧洲): Xn,Xi,T
• 风险声明 (欧洲): R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R25:Toxic if swallowed.
• 安全声明 (欧洲): 24/25
• 危险品运输编码: UN 2811
• WGK德国: 3
• RTECS号: US7548000
• 包装等级: II
• 危险类别: 6.1
• 海关编码: 29333999

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