五羰基氯铼(I) | 14099-01-5

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铋、钴、镨、钆、镓、铱、铼、钇、铽等
• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 五羰基氯铼(I)
• 中文别名: 氯代五羰基铼；五羰基氯化铼(I)；氯代五羰基铼(I)；氯化五羰基铼
• 英文名称: Re(CO)₅Cl
• 英文别名: rhenium pentacarbonyl chloride；pentacarbonylchlororhenium(I)；rhenium(I) pentacarbonyl chloride；[ReCl(CO)5]；pentacarbonylrhenium(I) chloride；chloropentacarbonylrhenium(I)；pentacarbonylchlororhenium；carbon monoxide;chlororhenium
• CAS: 14099-01-5
• 化学式: C₅ClO₅Re
• 分子量: 361.712
• InChiKey: JQUUAHKBIXPQAP-UHFFFAOYSA-M

物化性质

• 稳定性/保质期：
  在常温常压下稳定，应避免与水分、潮湿空气及氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  5
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  6.1
• 危险品标志：
  T
• 安全说明：
  S26,S28,S36/37/39,S45
• 危险类别码：
  R23/24/25,R36/37/38
• WGK Germany：
  3
• 海关编码：
  28369917
• 包装等级：
  II
• 危险类别：
  6.1
• 危险标志：
  GHS06
• 危险品运输编号：
  UN 3288 6.1/PG 3
• 危险性描述：
  H301 + H311 + H331,H315,H319,H335
• 危险性防范说明：
  P261,P280,P302 + P352 + P312,P304 + P340 + P312,P403 + P233
• 储存条件：
  常温下应密闭避光保存，并保持通风和干燥。

SDS

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Section 1: Product Identification
Chemical Name: Rhenium pentacarbonyl chloride, 98%
CAS Registry Number: 14099-01-5
Formula: Re(CO)5Cl
EINECS Number: 237-948-1
Chemical Family: metal carbonyl complexes
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 14099-01-5 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Inhalation
Eye Contact: May cause mild irritation to the eyes.
Skin Contact: Causes mild irritation to the skin.
Inhalation: Irritating to the nose mucous membranes and respiratory tract.
Ingestion: No specific information is available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract. Inhalation could lead to headache and dizziness.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 15 minutes. A victim will need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area immediately with water. Remove contaminated clothing if necessary. Seek medical
Skin Exposure:
assistance if irritation persists.
Remove victim to fresh air immediately. Keep the victim lying down and warm. Give oxygen as soon as
Inhalation:
possible. If shock occurs, respond with appropriate first aid. Transport the victim to a hospital.
Seek medical attention immediately. Keep the victim calm. Give water to dilute the toxin (only if conscious).
Ingestion:
Induce vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry chemical or foam
If involved in a fire, fire fighters should be equipped with a NIOSH-approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus.
Hazardous Combustion and carbon monoxide, carbon dioxide, and rhenium oxide dust.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small quantities can be mixed with sodium carbonate or vermiculite and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a cool, dry, well-ventilated area away from heat and direct sunlight. Keep containers tightly sealed.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling chemical substances.
Skin Protection: Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.
Ventilation: This product should be handled in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance 29 CFR 1910.134.
Ventilation: This product should be handled in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: off-white xtl.
Molecular Weight: 361.71
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: oxidizing agents, halogens and active metals
Decomposition Products: carbon dioxide, carbon monoxide, organic fumes, hydrogen chloride, and rhenium oxide.

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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

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SECTION 12: Ecological Information
Ecological Information: No information available.

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SECTION 13: Disposal Considerations
Disposal: Dispose of this material according to local, state and federal regulations.

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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

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  五羰基氯铼(I) 在 TlC₅H₅ 作用下， 以 正己烷 为溶剂， 以91%的产率得到环戊二烯三羰基铼
  参考文献：
  名称：

  Wang, Zhikai; Lees, Alistair J., Inorganic Chemistry, 1993, vol. 32, # 8, p. 1493 - 1501

  摘要：

  DOI：
• 作为产物：
  描述：

  pentacarbonyl(tetrafluoroborato)rhenium 在 三氯化磷 作用下， 以 二氯甲烷 为溶剂， 生成 五羰基氯铼(I)
  参考文献：
  名称：

  MetallorganischeLewis-Säuren ：XXXVII。五溴羰基化ation（Kationische Penta羰基（phosphan）rhenium-komplexe unde deren reaktionen mit Nucleophilen）

  摘要：

  pentacarbonyletrafluoroboratorhenium的反应中，（OC）5 ReFBF 3，用PH 3，PPH 3 PPH 2 H，和chlorphosphanes导致阳离子络合物[（OC）5 REPR 3 ] + BF 4 - （1）。亲核试剂与的chlorphosphane配体反应1，得到离子络合物[（OC）5 REPR 3- Ñ R' Ñ ] + BF 4 -（R'= OH，青梅，OET）。[（OC）的Reacton 5 RePPh 2 CL] +BF 4 -用OH -产生桥接的[（OC）5 REP（PH）2 -O-（PH）2 PRE（CO）5 ] 2+ 2BF 4 - ，而用[（OC）5 RePEt 2 CL] + BF 4 -和OH -的配合物[（OC）RePEt 2 OH] + BF 4 -形成。该叠氮化物离子被添加到顺式-羰基配体的[（OC）5 RePPh 2

  DOI：

  10.1016/0022-328x(89)87258-4
• 作为试剂：
  描述：

  三乙基硅烷 、 乙酸乙酯 在 五羰基氯铼(I) 作用下， 反应 4.0h， 生成 乙氧基三乙基硅烷
  参考文献：
  名称：

  Re（CO）5 Cl光解催化羰基的羰基氢化硅烷化

  摘要：

  硅烷与各种羰基底物（如醛，酮，酯和碳酸酯）之间的氢化硅烷化反应已通过Re（CO）5 Cl UV光解进行了催化。动力学研究表明，对于位阻最小的硅烷与醛，其次是脂族酮，该反应是有利的。羰基rh二聚体HRe 2（CO）9（SiR 3）的红外光谱已记录在反应混合物中。该络合物被认为是活性催化剂Re（CO）4 SiR 3的静止状态。，可以在激活后释放。已经提出了涉及该物种的催化机理，并通过计算研究显示出其在热力学上是可行的。另外，可以使用相同的机理解释各种羰基底物之间的相对氢化硅烷化速率。

  DOI：

  10.1021/om2012634

文献信息

• Synthesis, characterization, reactivity and computational studies of new rhenium(I) complexes with thiosemicarbazone ligands derived from 4-(methylthio)benzaldehyde
  作者：Ara Núñez-Montenegro、Rosa Carballo、José M. Hermida-Ramón、Ezequiel M. Vázquez-López

  DOI：10.1016/j.poly.2011.05.033

  日期：2011.8

  1b′, the rhenium atom is coordinated by the sulphur and the azomethine nitrogen atoms (κS,N3) forming a five-membered chelate ring, as well as three carbonyl and bromide ligands. The resulting coordination polyhedron can be described as a distorted octahedron. The structure of the dimers is based on rhenium(I) thiosemicarbazonates [Re2(L1)2(CO)6] (2a), [Re2(L2)2(CO)6] (2b) and [Re2(L3)2(CO)6] (2c) as

  摘要制备了由4-（甲硫基）苯甲醛（R = H，HL1; R = Me，HL2和R = Ph，HL3）衍生的N-硫酰胺基硫半脲，并与fac- [ReX（CO）3（CH3CN） 2]（X = Br，Cl）在甲醇中的加成物[ReX（CO）3（HLn）]（1a X = Cl，n = 1; 1a'X = Br，n = 1; 1b X = Cl，n = 2； 1b'X = Br，n = 2； 1c X = Cl，n = 3； 1c'X = Br，n = 3），收率良好。所有化合物均已通过元素分析，质谱（ESI），IR和1H NMR光谱法进行了表征。此外，还通过X射线衍射阐明了HL2，HL3，HL3·（CH3）2SO和1b′·H2O的结构。在1b'中，the原子被硫和偶氮甲碱氮原子（κS，N3）配位，形成一个五元螯合环，以及三个羰基和溴化物配体。所得的配位多面体可以描述为扭曲的八面体。二聚体的结构基于r
• Heteromultimetallic Transition Metal Complexes Based on Unsymmetrical Platinum(II) Bis-Acetylides
  作者：Rico Packheiser、Petra Ecorchard、Tobias Rüffer、Heinrich Lang

  DOI：10.1021/om800232m

  日期：2008.7.1

  The synthesis of a unique series of heteromultinuclear transition metal complexes with up to seven different metal atoms is reported by using consecutive synthesis methodologies including metathesis, dehydrohalogenation, and carbon−carbon cross-coupling reactions. In these compounds the metals Ti, Fe, Ru, Os, Re, Pt, and Cu are connected via carbon-rich bridging units comprising 1,3,5-triethynylbenzene

  通过使用包括复分解，脱氢卤化和碳-碳交叉偶联反应在内的连续合成方法，报道了具有多达七个不同金属原子的一系列独特的杂多核过渡金属配合物的合成。在这些化合物中，金属Ti，Fe，Ru，Os，Re，Pt和Cu通过富含碳的桥接单元连接，该桥接单元包括1,3,5-三乙炔基苯和2,2'-联吡啶基-5-基。这些分子已通过元素分析，IR和NMR光谱以及ESI-TOF质谱进行了表征。这些化合物的主要结构特征是不对称的反式构型的铂（II）双乙炔化物单元。的1-（FcC≡C）的结构的-3 - [（吨卜2联吡啶）（CO）3 ReC≡C] -5- [反式- （PH 3 P）2（RcC≡C）PtC≡C]Ç 6 ħ 3（3）和1,3 - 〔（PH 3 P）2（η 5 -C 5 H ^ 5）OsC≡C] 2 - 5 - [（CO）3（Cl）的重（bpyC≡C）] c ^ 6 ħ 3（18）（FC =（η 5 -C 5 H ^
• Electron donor-acceptor properties of substituted pyridine ligands on fac-tricarbonylrhenium(I) systems
  作者：Joshua R. Farrell、Gerard J. Kerins、Kira L. Niederhoffer、Laura A. Crandall、Christopher Ziegler

  DOI：10.1016/j.jorganchem.2016.03.030

  日期：2016.7

  A series of 4-substituted pyridines were combined with Re(CO)5Cl to prepare fac-tricarbonylchlorobis(ligand)rhenium(I) complexes. The Re(I) complexes were characterized by 1H and 13C NMR spectroscopy, FTIR spectroscopy, HRMS, and in the case of L = 4-(trifluoromethyl)pyridine, 4-bromopyridine, 4-picoline, and 4-methoxypyridine, single crystal X-ray diffraction studies. In the carbonyl region of the

  将一系列的4-取代的吡啶与Re（CO）5 Cl结合以制备fac-三羰基氯双（配体）r（I）配合物。Re（I）配合物的特征在于1 H和13 C NMR光谱，FTIR光谱，HRMS，在L = 4-（三氟甲基）吡啶，4-溴吡啶，4-甲基吡啶和4-甲氧基吡啶的情况下，单个晶体X射线衍射研究。在这些配合物的FTIR光谱的羰基区域中，随着吡啶上的取代基变得更具吸电子性，观察到的三个延伸转移到更高的能量。
• Enhanced Electrochemical CO₂ Reduction by a Series of Molecular Rhenium Catalysts Decorated with Second-Sphere Hydrogen-Bond Donors
  作者：Kallol Talukdar、Sayontani Sinha Roy、Eva Amatya、Elizabeth A. Sleeper、Pierre Le Magueres、Jonah W. Jurss

  DOI：10.1021/acs.inorgchem.0c00154

  日期：2020.5.4

  A series of rhenium(I) fac-tricarbonyl complexes containing pendent arylamine functionality in the second coordination sphere have been developed and studied as electrocatalysts for carbon dioxide (CO2) reduction. Aniline moieties were appended at the 6 position of a 2,2'-bipyridine (bpy) donor in which the primary amine was positioned at the ortho- (1-Re), meta- (2-Re), and para- (3-Re) sites of the

  已经开发了一系列在第二配位球中含有侧基芳基胺官能度的f（I）fac-三羰基配合物，并将其用作还原二氧化碳（CO2）的电催化剂。苯胺部分附加在2,2'-联吡啶（bpy）供体的6位，其中伯胺位于邻位（1-Re），间位（2-Re）和对位（3 -Re）苯胺取代基的位点，以生成一族异构体。在整个系列中探索了催化剂结构与活性之间的关系，并将其与基准催化剂Re（bpy）（CO）3Cl（ReBpy）的催化性能进行了比较。催化剂1-Re，2-Re和3-Re在无水乙腈和添加三氟乙醇（TFE）作为外部质子源的情况下均优于基准催化剂。在有TFE的情况下，苯胺取代的催化剂将法拉第效率高（≥89％）的CO2转化为一氧化碳（CO），并且相对于ReBpy（72.9 s-1）具有更高的周转频率（TOF），其中2-Re具有最高的TOF系列在239 s-1时的值，是次高活性催化剂的两倍。分别观察到邻位和对位取代苯胺配合物（1-
• A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re^I(CO)₃complexes with 5-pyridin-2-ylmethylene-amino uracils
  作者：Sonia B. Jiménez-Pulido、Nuria A. Illán-Cabeza、Francisco Hueso-Ureña、Carmen R. Maldonado、Purificación Sánchez-Sánchez、M. Paz Fernández-Liencres、Manuel Fernández-Gómez、Miguel N. Moreno-Carretero

  DOI：10.1039/c6dt02208a

  日期：——

  The synthesis, structure and CO-releasing properties of a number of new tricarbonyl rhenium(I) complexes with 5-substituted-6-amino-1,3-dimethyluracils are reported and their structural features discussed on the basis of both spectral and X-ray crystallographic analyses. The 5-substituent library includes –NCH-2py (DAAUPic) and –CHN–NCH-2py (FDUHzPic) as additional metal binding components and chloride

  报告了许多新的具有5-取代的6-氨基-1,3-二甲基尿嘧啶的三羰基rh（I）配合物的合成，结构和CO释放性质，并在光谱和X-的基础上讨论了它们的结构特征射线晶体学分析。5个取代基库包括–N CH-2py（DAAUPic）和–CH N–N CH-2py（FDUHzPic）作为其他金属结合成分，以及用作辅助配体的氯化物，乙腈或吡啶。该化合物已通过元素分析，NMR，MS和IR光谱法鉴定。另外，[ReCl（CO）3（DAAUPic）]，[Re（CO）3（FDUHzPic）py] ClO 4，[Re（CO）3（FDUHzPic）py] PF 6，[Re2 Cl 2（CO） 6（FDUHzPic）]和[Re 2 Cl（CO） 6（FDUHzPicH -1）（H 2O）]结构已通过X射线衍射法解决。这些研究清楚地表明，to的首选配位方式是通过（N1F，N52）-吡啶-2-基-亚甲基胺部分发生的，尿嘧啶配

表征谱图