14023-80-4

• 常用中文名：二羰基乙酰丙酮铱(I)
• 常用英文名：(Acetylacetonato)dicarbonyliridium (I)
• CAS号：14023-80-4
• 分子式：C₇H₇IrO₄
• 分子量：347.34500
• 相关类别： 有机原料 有机金属类化合物 有机铱
• 发布时间：2018-06-05 08:00:00
• 更新时间：2025-08-23 18:05:51
• (Acetylacetonato)dicarbonyliridium(I) is a catalyst for isomerization and anti-Markovnikov arylation of olefins. It is also a reactant for oxidative addition of perfluoroalkyl iodides, synthesis of iridium heterocycles, scaffolding of iridium complexes, metal carbonyl cluster synthesis, and mixed-bridged bimetallic d8 complex synthesis.

名称

• 中文名: 乙酰丙酮二羰基铱配合物
• 英文名: (acetylacetonato)dicarbonyliridium(i)
• 中文别名: 二羰基乙酰丙酮铱(I); 乙酰丙酮二羰基銥(I)
• 英文别名: Dicarbonyl(2,4-pentanedionato)iridium; 2,4-Pentanedionatodicarbonyl iridium; MFCD00049135; IRIDIUM I DICARBONYL PENTANEDIONATE; Dicarbonyl(2,4-pentanedionato)iridium(I); (Acetylacetonato)dicarbonyliridium(I)

物化性质

• 沸点: 100ºC (0.05 torr)
• 熔点: >145℃
• 分子式: C₇H₇IrO₄
• 分子量: 347.34500
• 精确质量: 347.99700
• PSA: 26.30000
• LogP: 0.54410
• 外观性状: 暗黄色至棕色晶体或粉末
• 储存条件:

  常温密闭避光，通风干燥

• 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：347.997334 Da

  8、标称质量：348 Da

  9、平均质量：347.3451 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:1

  5.互变异构体数量:8

  6.拓扑分子极性表面积39.3

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:117

  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:4

• 更多:

  1. 性状：青铜色晶体

  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）：未确定

  5. 沸点（ºC,常压）：未确定

  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：不能溶解的

MSDS

Section 1: Product Identification Chemical Name:Dicarbonylacetylacetonato iridium (I), 98% CAS Registry Number:14023-80-4 Formula:Ir(CO)2(CH3COCHCOCH3) EINECS Number:none Chemical Family:metal carbonyl complexes Synonym:Dicarbonyl(2.4-pentanedionato)iridium (I) Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound14023-80-4100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract. Primary Routes of Exposure:Inhalation, skin contact Eye Contact:Causes slight to mild irritation of the eyes Skin Contact:Causes slight to mild irritation of the skin. Inhalation:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information on the physiological effects of ingestion. Acute Health Affects:Irritating to skin, eyes and respiratory tract. 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 Inhalation: in 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:not applicable Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, foam or dry powder If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit irritating fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store cold in a tightly sealed container. Keep away from heat and direct sunlight. 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 clothes and gloves. Consult glove manufacturer to determine the proper type of glove. Ventilation: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: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:copper brown xtl. Molecular Weight:347.35 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable (store cold) Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:strong oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, organic fumes and iridium compounds. SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:No data available Mutagenic Effects:No data available Tetratogenic Effects:No data available 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):Title compound not listed. Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：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；没有已知的敏化影响。 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): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 22-26-36
• 危险品运输编码: UN3466
• WGK德国: 3
• 包装等级: III
• 危险类别: 6.1