CAS 80-47-7 corresponds to Tert-Butyl Peroxybenzoate. In the realm of chemistry, understanding the molecular formula of a chemical compound is fundamental, as it provides insights into its structure, properties, and potential applications. As a trusted supplier of CAS 80-47-7, we are well - versed in the details of this compound.
Molecular Formula of Tert - Butyl Peroxybenzoate (CAS 80 - 47 - 7)
The molecular formula of Tert - Butyl Peroxybenzoate is (C_{11}H_{14}O_{3}). This formula reveals a lot about the compound's composition. It consists of 11 carbon atoms ((C)), 14 hydrogen atoms ((H)), and 3 oxygen atoms ((O)).
Let's break down the structure based on the molecular formula. The "tert - butyl" part of the name indicates a tertiary butyl group, which has the structure ((CH_{3}){3}C-). The "peroxybenzoate" part consists of a peroxy group ((-O - O-)) and a benzoate moiety. The benzoate group is derived from benzoic acid, with a benzene ring ((C{6}H_{5}-)) attached to a carboxylate group ((-COO-)). When the tert - butyl group is attached to the peroxy oxygen, and the other peroxy oxygen is attached to the carbonyl carbon of the benzoate group, we get the overall structure of Tert - Butyl Peroxybenzoate.
Chemical and Physical Properties
The molecular formula is closely related to the chemical and physical properties of Tert - Butyl Peroxybenzoate. It is a colorless to pale - yellow liquid. With a molecular weight calculated from the formula (C_{11}H_{14}O_{3}) (11×12.01 + 14×1.01+3×16.00 = 194.23 g/mol), it has certain solubility characteristics. It is insoluble in water but soluble in common organic solvents such as benzene, toluene, and chloroform.
The peroxy group in the molecule makes it a reactive compound. It is a powerful oxidizing agent. This reactivity is due to the relatively weak (O - O) bond in the peroxy group, which can break easily and initiate chemical reactions. For example, it can be used as a radical initiator in polymerization reactions. When heated or in the presence of certain catalysts, the (O - O) bond breaks, generating free radicals that can start the polymerization of monomers like vinyl chloride or styrene.
Applications
Tert - Butyl Peroxybenzoate has a wide range of applications in different industries. In the polymer industry, as mentioned above, it is a key initiator in the production of various polymers. For instance, in the manufacturing of polystyrene, it helps in starting the chain - growth polymerization process, leading to the formation of high - molecular - weight polymers with desired properties such as good mechanical strength and transparency.
In the rubber industry, it can be used for vulcanization. Vulcanization is a process that cross - links the polymer chains in rubber, improving its elasticity, strength, and heat resistance. Tert - Butyl Peroxybenzoate can generate radicals that react with the rubber molecules, forming cross - links between them.
Comparison with Related Compounds
To better understand Tert - Butyl Peroxybenzoate, it's useful to compare it with some related compounds. For example, TBMA | CAS 1931 - 62 - 0 | Tert - butyl Monoperoxymaleate also contains a peroxy group. However, its molecular formula and structure are different. TBMA has a maleate moiety instead of a benzoate moiety. This difference in structure leads to different reactivity and applications. TBMA is often used in the synthesis of unsaturated polyester resins, where its reactivity and the maleate structure play important roles in the cross - linking process of the resin.
Another related compound is Tert - Amyl Hydroperoxide. Its molecular formula is (C_{5}H_{12}O_{2}). Compared to Tert - Butyl Peroxybenzoate, it has a simpler structure with a tert - amyl group and a hydroperoxide group ((-OOH)). It is also an oxidizing agent and can be used as a radical initiator, but its reactivity and selectivity may vary depending on the reaction conditions.
Safety Considerations
As a supplier of Tert - Butyl Peroxybenzoate, we are fully aware of the safety aspects associated with this compound. Due to its strong oxidizing nature, it should be handled with extreme care. It can react violently with reducing agents, combustible materials, and some metals. It is also a fire and explosion hazard. Proper storage conditions are crucial. It should be stored in a cool, well - ventilated area away from heat sources, open flames, and incompatible substances.
Quality Assurance as a Supplier
We take pride in being a reliable supplier of CAS 80 - 47 - 7. Our Tert - Butyl Peroxybenzoate is produced with strict quality control measures. We ensure that the product meets the highest purity standards. Our production process is designed to minimize impurities and by - products, which can affect the performance of the compound in various applications.
We have a team of experienced chemists and technicians who monitor every step of the production process, from raw material sourcing to the final packaging. We also conduct comprehensive quality testing on each batch of the product. This includes analyzing the chemical composition using techniques such as gas chromatography and infrared spectroscopy to confirm the molecular formula and purity of the Tert - Butyl Peroxybenzoate.
Supply and Logistics
We have a well - established supply chain to ensure timely delivery of our products. Whether you need a small quantity for research purposes or a large - scale supply for industrial production, we can meet your requirements. Our logistics team is experienced in handling the transportation of hazardous chemicals like Tert - Butyl Peroxybenzoate. They follow all the necessary regulations and safety protocols to ensure that the product reaches you in perfect condition.
Conclusion
In conclusion, the molecular formula (C_{11}H_{14}O_{3}) of Tert - Butyl Peroxybenzoate (CAS 80 - 47 - 7) is the key to understanding its structure, properties, and applications. As a supplier, we are committed to providing high - quality Tert - Butyl Peroxybenzoate to our customers. If you are interested in purchasing Tert - Butyl Peroxybenzoate for your specific needs, whether it's for polymer production, rubber vulcanization, or other applications, we invite you to contact us for a detailed discussion and to start a procurement negotiation. We are confident that our product and service will meet your expectations.
References
- "Organic Chemistry" by Paula Yurkanis Bruice
- "Polymer Chemistry: An Introduction" by Malcolm P. Stevens
- Safety data sheets for Tert - Butyl Peroxybenzoate from chemical manufacturers