Description

4-Chloro-3-fluorobenzoic acid (CAS No. 403-17-8) is a high-purity aromatic carboxylic acid derivative with the molecular formula C₇H₄ClFO₂. This white to off-white crystalline powder is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 174.56 g/mol, it features both chloro and fluoro substituents on the benzene ring, offering unique electronic and steric properties for regioselective reactions. The compound is stable under recommended storage conditions (room temperature, inert atmosphere) and exhibits excellent solubility in polar organic solvents like methanol, ethanol, and DMSO. Our product is rigorously tested by HPLC (<99% purity) and NMR spectroscopy to ensure batch-to-batch consistency for critical research applications. Suitable for use as a precursor in Suzuki couplings, amide formations, and other transition metal-catalyzed reactions.

Properties

• CAS Number: 403-17-8
• Complexity: 163
• IUPAC Name: 4-chloro-3-fluoro-benzoic acid
• InChI: InChI=1S/C7H4ClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
• InChI Key: QPIBHIXKUQKNFP-UHFFFAOYSA-N
• Exact Mass: 173.9883852
• Molecular Formula: C7H4ClFO2
• Molecular Weight: 174.55
• SMILES: C1=CC(=C(C=C1C(=O)O)F)Cl
• Topological: 37.3
• Monoisotopic Mass: 173.9883852
• Synonyms: 4-Chloro-3-fluorobenzoic acid, 403-17-8, Benzoic acid, 4-chloro-3-fluoro-, DTXSID00371424, DTXCID20322458, 630-058-8, 4-chloro-3-fluorobenzoicacid, MFCD00143290, 3-fluoro-4-chlorobenzoic acid, 4-chloro-3-fluoro-benzoic Acid, 4-Chloro-3-fluoro-benzoic Acid;3-Fluoro-4-chlorobenzoic Acid, SCHEMBL479072, 4-chloro-3-fluoro benzoic acid, SBB052712, AKOS005258534, AC-3197, CS-W008099, PS-8619, SY005008, DB-011325, C2891, EN300-51231, Z636292752

Application

4-Chloro-3-fluorobenzoic acid serves as a key intermediate in the synthesis of biologically active compounds, particularly in developing pharmaceutical candidates with modified pharmacokinetic properties. Researchers utilize this compound to create fluorinated analogs of drug molecules for structure-activity relationship (SAR) studies. The presence of both halogen substituents makes it valuable for designing PET radiotracers and agrochemicals with enhanced metabolic stability. In material science, it acts as a monomer for synthesizing specialty polymers with unique electronic characteristics.

Safety and Hazards

GHS Hazard Statements

• H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (22.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (22.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (88.9%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (22.2%)
• Acute Tox. 4 (22.2%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (22.2%)
• 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.