Description

2,6-Difluorophenylacetic Acid (CAS No. 85068-28-6) is a high-purity fluorinated organic compound with the molecular formula C₈H₆F₂O₂. This white to off-white crystalline powder is a valuable building block in pharmaceutical and agrochemical synthesis, particularly in the development of active pharmaceutical ingredients (APIs) and specialty chemicals. With a molecular weight of 172.13 g/mol, it offers excellent reactivity for nucleophilic substitution and coupling reactions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for researchers in medicinal chemistry, this compound is a key intermediate for the synthesis of fluorinated analogs with enhanced bioavailability and metabolic stability.

Properties

• CAS Number: 85068-28-6
• Complexity: 162
• IUPAC Name: 2-(2,6-difluorophenyl)acetic acid
• InChI: InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
• InChI Key: FUGDCKXBUZFEON-UHFFFAOYSA-N
• Exact Mass: 172.03358575
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.13
• SMILES: C1=CC(=C(C(=C1)F)CC(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 172.03358575
• Synonyms: 2,6-Difluorophenylacetic acid, 85068-28-6, Benzeneacetic acid, 2,6-difluoro-, EINECS 285-289-3, 2,6-Difluorobenzeneacetic acid, DTXSID10234132, DTXCID10156623, 285-289-3, 2-(2,6-difluorophenyl)acetic acid, MFCD00010001, 2,6-Difluorophenylaceticacid, (2,6-Difluorophenyl)acetic acid, Y45QQ4KF4U, SCHEMBL503912, 2,6-difluorophenyl acetic acid, SCHEMBL22344570, BDBM16428, SBB006631, 2,6-Difluorophenylacetic acid, 97%, AKOS005218001, CS-W017625, PS-8676, AC-26167, SY021812, DB-020206, D4322, NS00058547, ST50405189, EN300-100653, Q63392937, Z362118786, InChI=1/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12

Application

2,6-Difluorophenylacetic Acid is widely used as a precursor in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) and other bioactive molecules. Its fluorinated aromatic structure enhances lipophilicity and membrane permeability in drug candidates. This compound is also employed in agrochemical research for developing advanced pesticides and herbicides. Additionally, it serves as a versatile intermediate in material science for creating specialty polymers and liquid crystals.

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 (96%): 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. 2A (100%)
• STOT SE 3 (96%)

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