Description

(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid (CAS No. 32857-62-8) is a high-purity fluorinated aromatic acetic acid derivative with the molecular formula C₉H₇F₃O₂. This compound, also known by its IUPAC name 2-[4-(trifluoromethyl)phenyl]acetic acid, is characterized by its trifluoromethyl (-CF₃) functional group, which enhances its electron-withdrawing properties and chemical stability. It is a white to off-white crystalline powder, soluble in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), but sparingly soluble in water. This reagent is widely utilized in pharmaceutical synthesis, agrochemical research, and material science due to its role as a versatile building block for introducing the trifluoromethylphenyl moiety into target molecules. Suitable for laboratory and industrial-scale applications, it is supplied with comprehensive analytical data including HPLC, GC-MS, and ¹H/¹³C NMR spectra to ensure quality and consistency.

Properties

• CAS Number: 32857-62-8
• Complexity: 205
• IUPAC Name: 2-[4-(trifluoromethyl)phenyl]acetic acid
• InChI: InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
• InChI Key: HNORVZDAANCHAY-UHFFFAOYSA-N
• Exact Mass: 204.03981395
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.15
• SMILES: C1=CC(=CC=C1CC(=O)O)C(F)(F)F
• Topological: 37.3
• Monoisotopic Mass: 204.03981395
• Synonyms: 32857-62-8, Benzeneacetic acid, 4-(trifluoromethyl)-, (alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid, 4-(TRIFLUOROMETHYL)BENZENEACETIC ACID, EINECS 251-263-5, DTXSID40186514, DTXCID80109005, 251-263-5, 4-(Trifluoromethyl)phenylacetic acid, 2-(4-(trifluoromethyl)phenyl)acetic acid, 2-[4-(trifluoromethyl)phenyl]acetic acid, 4-Trifluoromethylphenylacetic acid, [4-(trifluoromethyl)phenyl]acetic acid, (alpha,alpha,alpha-Trifluoro-p-tolyl)acetic acid, p-(TRIFLUOROMETHYL)PHENYLACETIC ACID, MFCD00004352, p-Trifluoromethylphenylacetic acid, (.alpha.,.alpha.,.alpha.-Trifluoro-p-tolyl)-acetic acid, (4-(trifluoromethyl)phenyl]acetic acid, WRH9JL4FEE, SCHEMBL267205, SCHEMBL5950275, (trifluoro-p-tolyl)-acetic acid, SCHEMBL15515090, HNORVZDAANCHAY-UHFFFAOYSA-, HMS1759G07, 4-trifluoromethylphenyl acetic acid, BCP05249, 4-trifluoromethy lphenyl acetic acid, SBB000434, STL253525, (4-trifluoromethyl-phenyl)acetic acid, [4(trifluoromethyl)phenyl]acetic acid, 4-(trifluoromethyl)-phenylacetic acid, 4-(trifluoromethyl)phenyl acetic acid, AKOS000268944, (4-trifluoromethyl-phenyl) acetic acid, (4-trifluoromethyl-phenyl)-acetic acid, 2-(4-trifluoromethylphenyl)acetic acid, AC-4201, CS-W015432, FS-1033, FT63990, PD119087, SY001843, 4-TRIFLUOROMETHYL PHENYLACETIC ACID, 4-(Trifluoromethyl)phenylacetic acid, 97%, DB-000206, NS00055403, ST45174924, T1783, EN300-23932, (alpha,alpha,alpha-trifluoro-p-tolyl) acetic acid, Acetic acid, (alpha,alpha,alpha-trifluoro-p-tolyl)-, Q63408698, F2191-0126, Z166651274, (ALPHA,ALPHA,ALPHA-TRIFLUORO-PARA-TOLYL)ACETIC ACID, InChI=1/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

Application

(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid is a key intermediate in the synthesis of pharmaceuticals, particularly non-steroidal anti-inflammatory drugs (NSAIDs) and bioactive molecules with enhanced metabolic stability. It is also employed in agrochemical research for developing herbicides and pesticides with improved efficacy. Additionally, its trifluoromethyl group makes it valuable in material science for designing advanced polymers and liquid crystals with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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