Description

2,5-Difluorophenylacetic Acid (CAS No. 85068-27-5) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₆F₂O₂. This compound, also known by its IUPAC name 2-(2,5-difluorophenyl)acetic acid, is a versatile building block in pharmaceutical, agrochemical, and material science research. Its unique difluorophenyl moiety enhances metabolic stability and lipophilicity, making it valuable for drug discovery and development. Available in >98% purity (HPLC), this white to off-white crystalline powder is rigorously tested for quality, including NMR, LC-MS, and elemental analysis. Suitable for use in Suzuki couplings, peptide synthesis, and as a precursor for bioactive molecules. Packaged under inert gas to ensure stability and shipped with a comprehensive Certificate of Analysis.

Properties

• CAS Number: 85068-27-5
• Complexity: 172
• IUPAC Name: 2-(2,5-difluorophenyl)acetic acid
• InChI: InChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
• InChI Key: FKCRTRYQHZHXES-UHFFFAOYSA-N
• Exact Mass: 172.03358575
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.13
• SMILES: C1=CC(=C(C=C1F)CC(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 172.03358575
• Synonyms: 2,5-Difluorophenylacetic acid, 85068-27-5, EINECS 285-288-8, DTXSID50234131, DTXCID50156622, 285-288-8, 2-(2,5-difluorophenyl)acetic acid, (2,5-difluorophenyl)acetic acid, Benzeneacetic acid, 2,5-difluoro-, MFCD00010000, 2,5-Difluorophenylaceticacid, SCHEMBL503667, 2,5-difluorophenyl-acetic acid, SCHEMBL28061383, (2,5-difluoro)phenylacetic acid, SBB006659, 2,5-Difluorophenylacetic acid, 95%, AKOS005202851, AC-7444, CS-W017624, PS-8677, FD104882, SY021881, DB-020080, NS00058500, ST50405260, EN300-90291, Z362118692

Application

2,5-Difluorophenylacetic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly non-steroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. Its fluorinated aromatic structure is leveraged in agrochemical research to develop herbicides with improved selectivity. The compound also serves as a precursor for liquid crystal materials and specialty polymers, where its fluorine atoms enhance thermal and chemical resistance. Researchers utilize it in cross-coupling reactions to introduce difluorophenyl motifs into complex molecules.

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 (100%): 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 (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.