12108-04-2

• 常用中文名：四羰基环戊二烯基钒
• 常用英文名：CYCLOPENTADIENYLVANADIUM TETRACARBONYL
• CAS号：12108-04-2
• 分子式：C₉H₅O₄V
• 分子量：228.07500
• 发布时间：2018-02-14 08:00:00
• 更新时间：2024-01-14 22:44:09

名称

• 中文名: 四羰基环五二烯基钒
• 英文名: carbon monoxide,cyclopentane,vanadium
• 英文别名: 5,5-Diaethoxy-cyclopentadien; Cyclopentadienon-diethylketal; 1,1-diethoxycyclopentadiene; 5,5-Diethoxycyclopenta-1,3-dien; 5,5-Diethoxy-1,3-cyclopentadien; MFCD00014259; cyclopentadienylvanadium tetracarbonyl; 1,3-Cyclopentadiene,5,5-diethoxy; tetracarbonylcyclopentadienylvanadium; cyclopentadienone-diethylketal; EINECS 235-163-9

物化性质

• 沸点: 80-110ºC 0,1mm
• 熔点: 138ºC
• 分子式: C₉H₅O₄V
• 分子量: 228.07500
• 精确质量: 227.96300
• LogP: 0.18950
• 外观性状: 固体
• 储存条件:

  常温密闭避光，通风干燥处

• 稳定性:

  常温常压下稳定

  避免的物料 氧化物
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：227.962748 Da

  8、标称质量：228 Da

  9、平均质量：228.0751 Da

• 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:4

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积4

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:21.6

  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:6

• 更多:

  1. 性状：白色晶体

  2. 密度（g/mL, 18 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：138

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，0.1mmHg）：80-100

  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（20ºC）：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

MSDS

Section 1: Product Identification Chemical Name:Cyclopentadienylvanadium tetracarbonyl, min. 97% CAS Registry Number:12108-04-2 Formula:C5H5V(CO)4 EINECS Number:235-163-9 Chemical Family:metallocene Synonym:none Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound12108-04-2100%0.05mg/m3 (as V)0.05mg/m3 (as V) Section 3: Hazards Identification Emergency Overview:Dust may be irritating to skin, eyes and respiratory tract. May be harmful if swallowed. Primary Routes of Exposure:Ingestion, inhalation Eye Contact:May cause slight or mild irritation of the eyes. Skin Contact:May cause slight to mild irritation of the skin. Inhalation:Dust may be irritating to the nose mucous membranes and respiratory tract. Ingestion:No specific information is available on the physiological effects of ingestion. May be irritating to skin, eyes and respiratory tract. Inhalation of large amounts may cause cough, bronchitis, Acute Health Affects: anemia, hematuria and nervous complaints. Chronic Health Affects:No information available on long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty in Inhalation: breathing, coughing, wheezing or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:no data Autoignition Temperature:no data Explosion Limits:no data Extinguishing Medium:carbon dioxide, dry powder or foam. If involved in a fire, fire fighters should be equipped with NIOSH approved positive pressure self-contained Special Fire Fighting Procedures: breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may release toxic organic fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and Spill and Leak Procedures: swept up. SECTION 7: Handling and Storage Handling and Storage:Handle and store the material under an inert atmosphere of nitrogen or argon. Store cold. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:orange to red xtl. Molecular Weight:228.08 Melting Point:138° Boiling Point:(subl. 80-110°C /0.1mm Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air sensitive (store cold) Hazardous Polymerization:No hazardous polymerization. Conditions to Avoid:none Incompatibility:oxygen, oxidizing agents and halogens Decomposition Products:carbon monoxide, carbon dioxide, vanadium oxide and organic fumes. SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory SARA (Title 313):See Category code N770 for reporting. Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 主要的刺激性影响： 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化现象 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): T+
• 风险声明 (欧洲): 23/24/25
• 安全声明 (欧洲): 26-28-36/37/39-45
• 危险品运输编码: UN 3285
• 包装等级: II
• 危险类别: 6.1

合成路线

111635-23-5 ~75% 12108-04-2

文献：Gambarotta, Sandro; Chiesi-Villa, Angiola; Guastini, Carlo Inorganic Chemistry, 1988 , vol. 27, p. 99 - 102

7440-62-2 542-92-7 ~79% 12108-04-2

文献：Grobe, J.; Schneider, B. H.; Zimmermann, H. Zeitschrift fuer Anorganische und Allgemeine Chemie, 1981 , vol. 481, p. 107 - 116

366-18-7 111635-23-5 ~0% 110-01-0 12108-04-2 详细

文献：Gambarotta, Sandro; Chiesi-Villa, Angiola; Guastini, Carlo Inorganic Chemistry, 1988 , vol. 27, p. 99 - 102

201230-82-2 7632-51-1 542-92-7 ~% 12108-04-2

文献：Gmelin Handbook: V: MVol.B1, 130, page 338 - 340

111635-23-5 1227476-15-4 ~% 12108-04-2

文献：Gambarotta, Sandro; Chiesi-Villa, Angiola; Guastini, Carlo Inorganic Chemistry, 1988 , vol. 27, p. 99 - 102

111635-23-5 124-38-9 ~% 12108-04-2

文献：Gambarotta, Sandro; Chiesi-Villa, Angiola; Guastini, Carlo Inorganic Chemistry, 1988 , vol. 27, p. 99 - 102

上下游产品

上游产品  8
111635-23-5 7440-62-2 542-92-7 366-18-7
201230-82-2 7632-51-1 1227476-15-4 124-38-9
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