Description

2-Fluoro-6-(trifluoromethyl)benzoic acid (CAS No. 32890-94-1) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₄F₄O₂. This compound features a benzoic acid core substituted with a fluorine atom at the 2-position and a trifluoromethyl group at the 6-position, offering unique electronic and steric properties for advanced synthetic applications. Ideal for pharmaceutical intermediates, agrochemical research, and material science, this reagent is rigorously tested for consistency (≥98% purity by HPLC) and supplied in sealed packaging to ensure stability. Its structural motifs are valuable for designing bioactive molecules, ligands, and fluorinated polymers. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 32890-94-1
• Complexity: 226
• IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C8H4F4O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14)
• InChI Key: LNARMXLVVGHCRP-UHFFFAOYSA-N
• Exact Mass: 208.01474201
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.11
• SMILES: C1=CC(=C(C(=C1)F)C(=O)O)C(F)(F)F
• Topological: 37.3
• Monoisotopic Mass: 208.01474201
• Synonyms: 2-Fluoro-6-(trifluoromethyl)benzoic acid, 32890-94-1, DTXSID40350793, DTXCID80301860, 626-017-9, lnarmxlvvghcrp-uhfffaoysa-n, MFCD00040981, 2-fluoro-6-trifluoromethylbenzoic acid, 6-fluoro-2-trifluoromethylbenzoic acid, 6-fluoro-2-(trifluoromethyl)benzoic acid, Benzoic acid, 2-fluoro-6-(trifluoromethyl)-, alpha,alpha,alpha,6-Tetrafluoro-o-toluic Acid, SCHEMBL503596, BBL027960, CK2237, SBB064406, STK802264, AKOS005258423, AB01843, AC-3990, PS-8048, 2-Fluoro-6-(trifluoromethyl)benzoicacid, 2-fluoro-6-trifluoromethyl-benzoic acid, SY049349, F0757, ST50319939, EN300-97669, 2-Fluoro-6-(trifluoromethyl)benzoic acid, 99%, Z1269121214

Application

2-Fluoro-6-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated drug candidates, leveraging its electron-withdrawing groups to modulate pharmacokinetics. It is also employed in agrochemical research to develop herbicides and pesticides with enhanced bioavailability. In materials science, this compound aids in creating fluorinated polymers with improved thermal and chemical resistance.

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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