Description

(2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid) is a high-purity benzoic acid derivative designed for advanced research and industrial applications. With the molecular formula C₁₁H₁₀ClF₃O₅S and CAS number 120100-77-8, this compound features a unique trifluoroethoxymethyl substitution pattern, making it a valuable intermediate in synthetic chemistry and pharmaceutical development. Its structural complexity enables precise functionalization in organic synthesis, while its sulfonyl and chloro groups enhance reactivity for targeted modifications. This product is rigorously tested for purity and stability, ensuring reliable performance in laboratory and industrial settings. Suitable for researchers in medicinal chemistry, agrochemicals, and material science, it is available in customizable quantities with detailed analytical documentation (HPLC, NMR, MS).

Properties

• CAS Number: 120100-77-8
• Complexity: 473
• IUPAC Name: 2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoic acid
• InChI: InChI=1S/C11H10ClF3O5S/c1-21(18,19)8-3-2-6(10(16)17)9(12)7(8)4-20-5-11(13,14)15/h2-3H,4-5H2,1H3,(H,16,17)
• InChI Key: YGMJOCQCLVNPOD-UHFFFAOYSA-N
• Exact Mass: 345.9889568
• Molecular Formula: C11H10ClF3O5S
• Molecular Weight: 346.71
• SMILES: CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)COCC(F)(F)F
• Topological: 89.1
• Monoisotopic Mass: 345.9889568
• Physical Description: Other Solid
• Synonyms: Benzoic acid, 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]-, 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid, 2-chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoic acid, EC 619-779-9, (2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoic acid), Benzoic acid, 2-chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)-, (2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid), 619-779-9, 120100-77-8, 2-CHLORO-4-METHANESULFONYL-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]BENZOIC ACID, 2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoic acid, MFCD34561974, SCHEMBL1992300, DTXSID30888898, AS-0730, M6 AE0456148, NS00003457, E77271, 2-Chloro-4-methylsulfonyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoic acid, 2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]-benzoic acid

Application

This compound serves as a versatile building block in the synthesis of pharmaceuticals, particularly for developing sulfonyl-containing bioactive molecules. Its trifluoroethoxy and chloro substituents make it useful in agrochemical research for designing herbicidal and pesticidal agents. Researchers also employ it in material science for creating specialized polymers and coatings with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Sens. 1 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.