Description

2,3-Difluorophenylacetic acid (CAS No. 145689-41-4) is a high-purity fluorinated organic compound with the molecular formula C₈H₆F₂O₂. This aromatic carboxylic acid features a phenylacetic acid backbone substituted with fluorine atoms at the 2- and 3-positions, offering unique reactivity and physicochemical properties. It is commonly utilized as a key intermediate in pharmaceutical synthesis, agrochemical development, and advanced material science applications. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial use. Store in a cool, dry place away from light and moisture to maintain stability. Suitable for use in cross-coupling reactions, derivatization, and as a building block for bioactive molecules.

Properties

• CAS Number: 145689-41-4
• Complexity: 172
• IUPAC Name: 2-(2,3-difluorophenyl)acetic acid
• InChI: InChI=1S/C8H6F2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
• InChI Key: UXSQXUSJGPVOKT-UHFFFAOYSA-N
• Exact Mass: 172.03358575
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.13
• SMILES: C1=CC(=C(C(=C1)F)F)CC(=O)O
• Topological: 37.3
• Monoisotopic Mass: 172.03358575
• Synonyms: 2,3-Difluorophenylacetic acid, Benzeneacetic acid, 2,3-difluoro-, 2,3-DIFLUOROBENZENEACETIC ACID, DTXSID20334455, DTXCID30285545, 642-544-7, 145689-41-4, 2-(2,3-difluorophenyl)acetic acid, MFCD00040968, (2,3-difluorophenyl)acetic acid, SCHEMBL723768, SCHEMBL6967661, SCHEMBL22344420, (2,3-difluoro-phenyl)acetic acid, (2,3-difluorophenyl)-acetic acid, BCP27245, SBB052776, 2,3-Difluorophenylacetic acid, 97%, AKOS005145831, AC-1066, CS-W002195, FD28862, PS-8680, BP-12749, SY005482, DB-025310, D3889, ST50407004, EN300-100654, Z445167096

Application

2,3-Difluorophenylacetic acid serves as a versatile intermediate in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly in CNS and anti-inflammatory agents. Its electron-withdrawing fluorine substituents enhance metabolic stability in pharmaceutical scaffolds. The compound is also employed in agrochemical research to develop novel herbicides and pesticides with improved efficacy. Additionally, it finds use in material science for modifying polymer properties and in coordination chemistry as a ligand precursor.

Safety and Hazards

GHS Hazard Statements

• H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (97.9%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (83.3%)
• Skin Irrit. 2 (97.9%)
• 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.