三羰基氯化铱 | 32594-40-4

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铱
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 中文名称: 三羰基氯化铱
• 中文别名: 氯代三羰基铱(I)
• 英文名称: CHLOROTRICARBONYLIRIDIUM(I)
• 英文别名: tricarbonyliridium chloride
• CAS: 32594-40-4
• 化学式: C₃ClIrO₃
• 分子量: 311.704
• InChiKey: PPRHQXVXTQVBAW-UHFFFAOYSA-M

物化性质

• 熔点：
  235°C (dec.)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

安全信息

• 安全说明：
  S24/25
• 海关编码：
  29310099

SDS

Name:	Chlorotricarbonyliridium(I) Material Safety Data Sheet
Synonym:	None Known
CAS:	32594-40-4

Section 1 - Chemical Product MSDS Name:Chlorotricarbonyliridium(I) Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
32594-40-4	Chlorotricarbonyliridium(I)	ca. 100	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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:
Treat symptomatically and supportively.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 32594-40-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: brown
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: C3ClIrO3
Molecular Weight: 311.71

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Active metals.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 32594-40-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Chlorotricarbonyliridium(I) - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Not regulated as a hazardous material.

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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# 32594-40-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 32594-40-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 32594-40-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  三羰基氯化铱 、 (η5:η5-fulvalene)dithallium(I) 以 四氢呋喃 为溶剂， 以52%的产率得到FvIr₂(CO)₄
  参考文献：
  名称：

  合成von 1,3-dimetallacyclobutanen mit demmethylen-di-grignardreagens

  摘要：

  描述了改进的亚甲基二格里雅试剂CH 2（MgBr）2（2）的制备方法2被用作合成子，以两步顺序制备1,3-二金属环丁烷（1）。首先，将两个摩尔当量的2和一个摩尔当量的二氯金属茂Cp 2 MCl 2（3）（M = Ti，Zr，Hf）合并以形成1,3-二格里雅试剂Cp 2 M（CH 2 MgBr）2（4）与二氯化金属L 2 M'Cl 2（L 2 M'= Cp2 Ti，Cp 2 Zr，Cp 2 Hf，Me 2 Si，Me 2 Ge，Me 2 Sn）得到1。的1 H和13的C NMR光谱1示出有趣的趋势其是简要讨论。

  DOI：

  10.1016/s0022-328x(00)99515-9
• 作为产物：
  描述：

  氯化铱(III) 水合物 在 一氧化碳 作用下， 以 solid matrix 为溶剂， 以87%的产率得到三羰基氯化铱
  参考文献：
  名称：

  Roberto, Dominique; Psaro, Rinaldo; Ugo, Renato, Organometallics, 1993, vol. 12, # 6, p. 2292 - 2296

  摘要：

  DOI：
• 作为试剂：
  描述：

  N-allyl-2-phenyl-1,3-thiazane 在 三羰基氯化铱 一氧化碳 作用下， 以 苯 为溶剂， 170.0 ℃ 、6.89 MPa 条件下， 以86%的产率得到N-benzyl-N-prop-2-enyl-3-prop-2-enylsulfanylpropan-1-amine
  参考文献：
  名称：

  Unprecedented iridium catalysed group transfer reactions of 1,3-thiazanes

  摘要：

  在一氧化碳气氛下，用催化量的无水三氯化铱或氯代三羰基铱在苯中处理适当官能化的 1,3-噻氮烷（例如 N-烯丙基-2-苯基-1,3），观察到分子内烯丙基、苄基或亚甲基酯转移。 -噻嗪转化为N,S-二烯丙基-N-苄基-1,3-氨基硫醇；由噻嗪的第二个分子提供，该分子又通过丙烯的形式损失而转化为相应的噻嗪）。

  DOI：

  10.1039/c39950001199

文献信息

• Synthese von 1,3-dimetallacyclobutanen mit dem methylen-di-grignardreagens
  作者：B.J.J. van de Heisteeg、G. Schat、O.S. Akkerman、F. Bickelhaupt

  DOI：10.1016/s0022-328x(00)99515-9

  日期：1986.7

  An improved preparation of the methylene-di-Grignard reagent CH2(MgBr)2 (2) is described 2 is applied as a synthon for the preparation of 1,3-dimetallacyclobutanes (1) in a two step sequence. First,, two molar equivalents of 2 and one molar equivalent of a dichlorometallocene Cp2MCl2 (3) (M = Ti, Zr, Hf) are combined to form a 1,3-di-Grignard reagent Cp2M(CH2MgBr)2 (4) which with a metal dichloride

  描述了改进的亚甲基二格里雅试剂CH 2（MgBr）2（2）的制备方法2被用作合成子，以两步顺序制备1,3-二金属环丁烷（1）。首先，将两个摩尔当量的2和一个摩尔当量的二氯金属茂Cp 2 MCl 2（3）（M = Ti，Zr，Hf）合并以形成1,3-二格里雅试剂Cp 2 M（CH 2 MgBr）2（4）与二氯化金属L 2 M'Cl 2（L 2 M'= Cp2 Ti，Cp 2 Zr，Cp 2 Hf，Me 2 Si，Me 2 Ge，Me 2 Sn）得到1。的1 H和13的C NMR光谱1示出有趣的趋势其是简要讨论。
• Synthesis, structure, and reactions of a dimeric rhodium(I) complex with bridging σ- and π-bonded 2,5-dimethylpyrrolido ligands
  作者：Kenan Yünlü、Fred Basolo、Arnold L. Rheingold

  DOI：10.1016/0022-328x(87)80290-5

  日期：1987.8

  Lithium 2,5-dimethylpyrrolide reacts with [RhCl(CO)2]2 in THF to give the novel dimeric Rh-carbonyl (1). The X-ray structure of 1 shows that two Rh(CO)2 moieties are coordinated by two bridging pyroole rings, where each ring acts as both a σ and a π donor. Reactions of 1 with either PPh3 (2) or AsPh3 (3) proceed rapidly and produce yellow air stable compounds. The X-ray structure of 2 confirms that

  2,5-二甲基吡咯锂与THF中的[RhCl（CO）2 ] 2反应，得到新的二聚Rh-羰基（1）。的X射线结构1只示出了两个的Rh（CO）2个部分通过两根桥接pyroole环，其中每个环既用作σ和π供体配位。的反应1与任一PPH 3（2）或ASPH 3（3）迅速地进行，并产生黄色空气稳定的化合物。的X射线结构2只证明了它是一个正方形平面的Rh 1复合物与2个PPH 3个基团在反位置和被CO和σ键联的吡咯离子占据的其余位置。对应与锂2,5-二甲基吡咯和反应[的IrCl（CO）3 ] Ñ产量的产品非常相似的化合物1 - 3。对[RhCl（CO）2 ] 2与3,4-二甲基吡咯和吡咯的阴离子之间的反应的初步研究表明，产物是未鉴定的化合物的混合物。
• Benzo annulated cycloheptatriene PCP pincer iridium complexes
  作者：Wolfgang Leis、Sophie Wernitz、Benedikt Reichart、David Ruckerbauer、Johannes Wolfram Wielandt、Hermann A. Mayer

  DOI：10.1039/c4dt00885e

  日期：——

  Chemical conversions of a cycloheptatriene iridium pincer complex were studied by NMR and MS techniques as well as DFT calculations.

  通过核磁共振和质谱技术以及密度泛函理论计算，研究了环庚三烯铱夹心配合物的化学转化。
• Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes
  作者：Emily R. Berkeley、Ariane Perez-Gavilan、Patrick J. Carroll、Larry G. Sneddon

  DOI：10.1021/acs.organomet.5b00141

  日期：2015.4.13

  syntheses and structural characterizations of the first extensive series of Group 9 (Co, Rh, and Ir) tricarbadecaboranyl half-sandwich complexes are reported. The carbonyl complexes 1,1-(CO)2-2-Ph-closo-1,2,3,4-MC3B7H9, M = Co (1), Rh (2), and 8,8,8-(CO)3-9-Ph-nido-8,7,9,10-IrC3B7H9 (3) were obtained by the reactions of Li+(6-Ph-nido-5,6,9-C3B7H9)− with Co(CO)4I, [Rh(CO)2Cl]2, and Ir(CO)3Cl, respectively

  报道了第9族（Co，Rh和Ir）三碳硼烷硼烷基半三明治复合物的第一个广泛系列的合成和结构表征。羰基配合物1,1-（CO）2 -2-Ph- closo -1,2,3,4-MC 3 B 7 H 9，M = Co（1），Rh（2）和8,8，Li +（6- Ph - nido -5,6,9 ）反应制得8-（CO）3 -9- Phnido -8,7,9,10-IrC 3 B 7 H 9（3）-C 3 B 7 H 9）-分别具有Co（CO）4 I，[Rh（CO）2 Cl] 2和Ir（CO）3 Cl。的进一步反应1，2，和3用1,2-双（二苯基膦基）乙烷（dppe），得到1,1- DPPE-2-PH-闭合碳-1,2,3,4- MC 3乙7 ħ 9，M = Co（4），Rh（5）和8-CO-8,8-dppe-9- Phnido -8,7,9,10-IrC 3 B 7 H 9（6）衍生物及其晶体学测定表明1和2包含η
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C2, 1.12, page 161 - 169
  作者：

  DOI：——

  日期：——