The foundation of effective chemical synthesis and application lies in a thorough understanding of the compounds involved. 4,4,4-Trifluorocrotonic acid, identified by CAS number 71027-02-6, is a molecule whose specific chemical structure and properties dictate its utility, particularly as a pharmaceutical intermediate and in other fine chemical applications. This article aims to elucidate its key chemical characteristics.

The molecular formula of 4,4,4-Trifluorocrotonic acid is C4H3F3O2. This formula reveals a four-carbon backbone, with three hydrogen atoms, three fluorine atoms, and two oxygen atoms. The presence of three fluorine atoms, specifically in a trifluoromethyl (CF3) group, is a significant feature. This group is highly electronegative and sterically demanding, influencing the electronic distribution and reactivity of the entire molecule. The structure also contains an alkene (C=C) bond and a carboxylic acid (-COOH) group, which are key functional elements for its synthetic applications.

The molecular weight of 4,4,4-Trifluorocrotonic acid is approximately 140.06 g/mol. This value is calculated by summing the atomic weights of all constituent atoms. Knowing the precise molecular weight is crucial for stoichiometric calculations in chemical reactions and for analytical purposes, such as mass spectrometry.

Regarding its physicochemical properties, the boiling point of 4,4,4-Trifluorocrotonic acid is reported to be around 68-69°C at 20 mm. This relatively low boiling point, under reduced pressure, suggests it can be purified by distillation, a common practice for fine chemicals. The flash point is stated as greater than 110°C, indicating a moderate flammability hazard, which is important for safe handling and storage protocols.

The assay, or purity level, is typically specified as a minimum of 99.0% for high-quality material, essential for its use in pharmaceutical synthesis where impurity levels must be strictly controlled. The packing is often in 25kg drums, or as per customer request, reflecting typical industrial supply formats for chemical intermediates.

The chemical structure, with the electron-withdrawing CF3 group adjacent to the double bond and carboxylic acid, makes the molecule a versatile reactant. The double bond is activated towards nucleophilic attack (conjugate addition), and the carboxylic acid can readily undergo esterification or amidation. These inherent chemical characteristics are precisely why companies seek to buy this compound for various synthetic endeavors.

Understanding these fundamental chemical details—from its molecular formula and weight to its boiling point and reactivity—is essential for anyone looking to utilize 4,4,4-Trifluorocrotonic acid effectively. For manufacturers and researchers, this knowledge underpins the successful application of this valuable intermediate in creating advanced materials and pharmaceuticals.