Cycloheptatrienetricarbonylchromium
[CAS# 12125-72-3]

Identification

• Classification: Organic raw materials >> Organometallic compound >> Organic scandium, tantalum, thallium, tungsten, antimony, lanthanum, lead, vanadium, molybdenum, chromium, ytterbium, etc.
• Name: Cycloheptatrienetricarbonylchromium
• Synonyms: carbon monoxide chromium cyclohepta-1,3,5-triene
• Molecular Formula: C₁₀H₈CrO₃
• Molecular Weight: 228.16
• CAS Registry Number: 12125-72-3
• EC Number: 235-196-9
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC=C1.[Cr]

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H312-H315-H319-H332-H335
• Precautionary Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P317-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H312
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H332
Eye irritation	Eye Irrit.	2	H319

Discovory and Applicatios

Cycloheptatrienetricarbonylchromium is a noteworthy organometallic compound that has drawn attention in the field of coordination chemistry and catalysis due to its unique structural features and diverse applications. This complex comprises a chromium center coordinated by three carbon monoxide (CO) ligands and a cycloheptatriene ligand. Its discovery and subsequent applications showcase its significance in both fundamental chemistry and practical uses.

The compound was first synthesized as part of studies focused on transition metal complexes and their interactions with organic ligands. The synthesis of cycloheptatrienetricarbonylchromium typically involves the reaction of chromium hexacarbonyl with cycloheptatriene. Under controlled conditions, this reaction yields the desired complex, wherein the chromium atom is centrally coordinated by three CO ligands and one cycloheptatriene ligand.

Structurally, cycloheptatrienetricarbonylchromium features a chromium atom at the center, surrounded by three CO ligands in a trigonal planar arrangement. The cycloheptatriene ligand coordinates to the chromium center in an η^6-fashion, forming a stable complex. This configuration imparts the compound with distinctive electronic and steric properties, influencing its reactivity and stability.

In terms of applications, cycloheptatrienetricarbonylchromium is valued for its role as a catalyst or catalyst precursor in various chemical reactions. One of its primary applications is in organic synthesis, where it acts as a catalyst for hydroformylation reactions. In these reactions, cycloheptatrienetricarbonylchromium facilitates the addition of carbon monoxide and hydrogen to olefins, resulting in the formation of aldehydes. The ability of the complex to activate CO and other small molecules makes it a valuable tool in producing aldehydes and other carbonyl-containing compounds.

Additionally, cycloheptatrienetricarbonylchromium has been utilized in polymerization processes. Its unique coordination environment allows it to act as a catalyst in the polymerization of various monomers, leading to the synthesis of novel polymers with tailored properties. These polymers have potential applications in materials science, including the development of advanced materials with specific mechanical, thermal, or electrical characteristics.

The compound is also of interest in research focused on understanding transition metal coordination chemistry and reaction mechanisms. Studying the reactivity of cycloheptatrienetricarbonylchromium provides insights into the behavior of similar complexes and contributes to the broader knowledge of metal-ligand interactions.

In summary, cycloheptatrienetricarbonylchromium is a significant organometallic complex with diverse applications in catalysis and materials science. Its unique structural and chemical properties make it a valuable component in advancing chemical processes and developing new materials.