Description

3-Chloro-4-fluorobenzoic acid (CAS No. 403-16-7) is a high-purity organic compound with the molecular formula C₇H₄ClFO₂, widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research. This white to off-white crystalline powder exhibits excellent stability under standard conditions, making it ideal for precision applications. With a purity of ≥95%, it serves as a key intermediate in the production of active pharmaceutical ingredients (APIs), liquid crystal materials, and specialty chemicals. Its unique halogenated aromatic structure enables versatile reactivity in cross-coupling reactions, esterifications, and carboxyl group transformations. Packaged under inert gas to ensure longevity, our product meets stringent analytical standards (HPLC, NMR) for trace impurities.

Properties

• CAS Number: 403-16-7
• Complexity: 163
• IUPAC Name: 3-chloro-4-fluoro-benzoic acid
• InChI: InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
• InChI Key: PKTSBFXIHLYGEY-UHFFFAOYSA-N
• Exact Mass: 173.9883852
• Molecular Formula: C7H4ClFO2
• Molecular Weight: 174.55
• SMILES: C1=CC(=C(C=C1C(=O)O)Cl)F
• Topological: 37.3
• Monoisotopic Mass: 173.9883852
• Synonyms: 3-Chloro-4-fluorobenzoic acid, 403-16-7, Benzoic acid, 3-chloro-4-fluoro-, DTXSID70334521, DTXCID80285611, 609-818-8, 3-chloro-4-fluoro-benzoic acid, MFCD00042477, 4-fluoro-3-chlorobenzoyl acid, 4-Fluoro-3-chlorobenzoic acid, 3-Chloro-4-Fluorobenzoicacid, 3-chloro4-fluorobenzoic acid, SCHEMBL109599, 3 -chloro-4-fluorobenzoic acid, BBL010021, SBB003796, STK711119, 3-Chloro-4-fluorobenzoic acid, 95%, AKOS000109351, AC-3930, BS-3948, CS-W018495, FC38071, NCGC00337066-01, SY005155, DB-031118, NS00124387, ST50405268, EN300-104562, AB01330484-02, F0001-1140, Z1203161796, InChI=1/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11

3-Chloro-4-fluorobenzoic acid is primarily employed as a building block in medicinal chemistry for synthesizing fluorinated drug candidates targeting CNS disorders and anti-inflammatory agents. Its reactive carboxyl group facilitates peptide coupling and linker chemistry in PROTAC development. The compound also finds use in agrochemical research for designing next-generation herbicides with enhanced selectivity. Researchers leverage its halogen substituents for Suzuki-Miyaura and Buchwald-Hartwig reactions in material science applications.

Safety and Hazards

GHS Hazard Statements

• H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (81.8%): 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 (90.9%)
• Eye Irrit. 2A (90.9%)
• STOT SE 3 (81.8%)

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