Description

2-Chloro-6-fluorophenylacetic acid (CAS No. 37777-76-7) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₈H₆ClFO₂. This white to off-white crystalline powder is a versatile building block in pharmaceutical and agrochemical synthesis, particularly for non-steroidal anti-inflammatory drugs (NSAIDs) and other bioactive compounds. With a molecular weight of 188.58 g/mol, it features both chloro and fluoro substituents on the phenyl ring, enabling selective reactivity in cross-coupling and nucleophilic substitution reactions. Our product is analytically validated (HPLC, GC, NMR) to ensure ≥98% purity, making it ideal for research-scale and process development applications. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 37777-76-7
• Complexity: 174
• IUPAC Name: 2-(2-chloro-6-fluoro-phenyl)acetic acid
• InChI: InChI=1S/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
• InChI Key: GUAIAAXDEJZRBP-UHFFFAOYSA-N
• Exact Mass: 188.0040353
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.58
• SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 188.0040353
• Synonyms: 2-Chloro-6-fluorophenylacetic acid, 37777-76-7, EINECS 253-661-4, DTXSID20191222, 2-Chloro-6-fluorobenzeneacetic acid, DTXCID30113713, 253-661-4, 2-(2-chloro-6-fluorophenyl)acetic acid, Benzeneacetic acid, 2-chloro-6-fluoro-, MFCD00004319, (2-chloro-6-fluorophenyl)acetic acid, 2-Chloro-6-fluorophenylaceticacid, 2-Chloro-6-fluorophenyl acetic acid, AV46FT6W9Y, SCHEMBL1285811, SCHEMBL22344456, HMS1789F20, 2-chloro-6-fluoro-phenylacetic acid, SBB052835, STK428924, AKOS000119580, AC-9780, BS-4026, CS-W016773, 2-(2-fluoro-6-chlorophenyl)acetic acid, 2-(2-chloro-6-fluoro-phenyl)acetic acid, SY016335, DB-049193, NS00056685, ST50406506, EN300-17832, Z57044264, F0850-6775, InChI=1/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12

Application

2-Chloro-6-fluorophenylacetic acid serves as a key intermediate in synthesizing fluorinated NSAIDs and COX-2 inhibitors. Its reactive carboxyl group enables peptide coupling or esterification for prodrug development. The compound’s halogenated aromatic ring facilitates Suzuki-Miyaura and Buchwald-Hartwig reactions in medicinal chemistry. Researchers also utilize it to study structure-activity relationships in fluorine-containing bioactive 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 (88.9%): 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 (88.9%)

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