Description

2-(3-Chloro-5-fluorophenyl)acetic acid (CAS No. 202001-00-1) is a high-purity organic compound with the molecular formula C₈H₆ClFO₂. This fluorinated and chlorinated phenylacetic acid derivative is a versatile building block in pharmaceutical and agrochemical research. The compound features a reactive acetic acid moiety attached to a 3-chloro-5-fluorophenyl ring, making it valuable for further functionalization through esterification, amidation, or coupling reactions. Supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), it is ideal for medicinal chemistry applications, particularly in the development of novel bioactive molecules. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. For research use only.

Properties

• CAS Number: 202001-00-1
• Complexity: 174
• IUPAC Name: 2-(3-chloro-5-fluoro-phenyl)acetic acid
• InChI: InChI=1S/C8H6ClFO2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
• InChI Key: GFLQMGYDUPLXHZ-UHFFFAOYSA-N
• Exact Mass: 188.0040353
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.58
• SMILES: C1=C(C=C(C=C1F)Cl)CC(=O)O
• Topological: 37.3
• Monoisotopic Mass: 188.0040353
• Synonyms: 2-(3-chloro-5-fluorophenyl)acetic acid, 622-384-4, 202001-00-1, 3-Chloro-5-fluorophenylacetic acid, 5-chloro-3-fluorophenylacetic acid, (3-Chloro-5-fluorophenyl)acetic acid, BENZENEACETIC ACID, 3-CHLORO-5-FLUORO-, MFCD03788475, 2-(3-chloro-5-fluoro-phenyl)acetic Acid, SCHEMBL156863, DTXSID90370527, GFLQMGYDUPLXHZ-UHFFFAOYSA-N, CL8772, SBB064356, AKOS015848935, (3-chloro-5-fluoro-phenyl)acetic acid, 2-(3-chloro-5-fluorophenyl)aceticacid, AB16023, AC-4527, CS-W008457, PS-8437, 2-(5-chloro-3-fluorophenyl)acetic acid, SY015137, EN300-223838

Application

2-(3-Chloro-5-fluorophenyl)acetic acid serves as a key intermediate in synthesizing pharmaceutical candidates, particularly for CNS-targeting drugs due to its fluorinated aromatic structure. The compound’s bifunctional nature allows for easy incorporation into larger molecular frameworks via its carboxylic acid group. Researchers utilize this chemical in structure-activity relationship (SAR) studies to optimize potency and selectivity of lead compounds. It has shown utility in developing potential antimicrobial and anti-inflammatory agents.

Safety and Hazards

GHS Hazard Statements

• H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (11.4%): 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 (88.6%)
• Skin Irrit. 2 (11.4%)
• Eye Irrit. 2A (11.4%)
• STOT SE 3 (11.4%)

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