25753-26-8 Usage
Description
2,4,6-Tris(trifluoromethyl)benzoic acid is an organic compound characterized by its trifluoromethyl groups attached to a benzoic acid structure. 2,4,6-TRIS(TRIFLUOROMETHYL)BENZOIC ACID is known for its unique properties, such as enhanced reactivity and stability due to the presence of fluorine atoms, making it a versatile building block in various chemical syntheses.
Uses
Used in Pharmaceutical Industry:
2,4,6-Tris(trifluoromethyl)benzoic acid is used as an intermediate in the synthesis of 2,4,6-Tris(trifluoromethyl)aniline (T876695), which is a fluorinated compound that has become a valuable tool in medical chemistry. The presence of fluorine atoms in the molecule can significantly influence its pharmacokinetic and pharmacodynamic properties, potentially leading to improved drug efficacy and safety.
Used in Dye Industry:
2,4,6-Tris(trifluoromethyl)benzoic acid is also utilized for the preparation of azo dyes containing fluorine. The incorporation of fluorine atoms into the dye structure can enhance the dye's performance characteristics, such as solubility, color intensity, and resistance to fading, making it suitable for various applications, including textiles, plastics, and printing inks.
Check Digit Verification of cas no
The CAS Registry Mumber 25753-26-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,5,7,5 and 3 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 25753-26:
(7*2)+(6*5)+(5*7)+(4*5)+(3*3)+(2*2)+(1*6)=118
118 % 10 = 8
So 25753-26-8 is a valid CAS Registry Number.
25753-26-8Relevant articles and documents
Method for estimating SN1 rate constants: Solvolytic reactivity of benzoates
Matic, Mirela,Denegri, Bernard,Kronja, Olga
supporting information, p. 8986 - 8998,13 (2012/12/12)
Nucleofugalities of pentafluorobenzoate (PFB) and 2,4,6-trifluorobenzoate (TFB) leaving groups have been derived from the solvolysis rate constants of X,Y-substituted benzhydryl PFBs and TFBs measured in a series of aqueous solvents, by applying the LFER equation: log k = sf(Ef + Nf). The heterolysis rate constants of dianisylmethyl PFB and TFB, and those determined for 10 more dianisylmethyl benzoates in aqueous ethanol, constitute a set of reference benzoates whose experimental ΔG ? have been correlated with the ΔH? (calculated by PCM quantum-chemical method) of the model epoxy ring formation. Because of the excellent correlation (r = 0.997), the method for calculating the nucleofugalities of substituted benzoate LGs have been established, ultimately providing a method for determination of the SN1 reactivity for any benzoate in a given solvent. Using the ΔG? vs ΔH? correlation, and taking sf based on similarity, the nucleofugality parameters for about 70 benzoates have been determined in 90%, 80%, and 70% aqueous ethanol. The calculated intrinsic barriers for substituted benzoate leaving groups show that substrates producing more stabilized LGs proceed over lower intrinsic barriers. Substituents on the phenyl ring affect the solvolysis rate of benzhydryl benzoates by both field and inductive effects.
