Description

4-Chloro-2-fluorobenzoic acid (CAS No. 446-30-0) is a high-purity halogenated benzoic acid derivative with the molecular formula C₇H₄ClFO₂. This fine chemical is characterized by its white to off-white crystalline powder appearance and is extensively utilized in pharmaceutical and agrochemical research. With a molecular weight of 174.56 g/mol, it exhibits excellent solubility in organic solvents such as DMSO, methanol, and ethanol, making it ideal for synthetic applications. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Proper storage at 2-8°C in a tightly sealed container ensures long-term stability.

Properties

• CAS Number: 446-30-0
• Complexity: 163
• IUPAC Name: 4-chloro-2-fluoro-benzoic acid
• InChI: InChI=1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
• InChI Key: ZLPXBWMVZANJJQ-UHFFFAOYSA-N
• Exact Mass: 173.9883852
• Molecular Formula: C7H4ClFO2
• Molecular Weight: 174.55
• SMILES: C1=CC(=C(C=C1Cl)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 173.9883852
• Synonyms: 4-Chloro-2-fluorobenzoic acid, 446-30-0, 2-fluoro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-2-fluoro-, MU5ZEU8Q5V, EINECS 207-162-3, NSC-190363, DTXSID60196236, NSC 190363, DTXCID70118727, 207-162-3, inchi=1/c7h4clfo2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3h,(h,10,11, zlpxbwmvzanjjq-uhfffaoysa-n, MFCD00042468, 4-chloro-2-fluoro-benzoic acid, 4-Chloro-2-fluorobenzoicacid, NSC190363, UNII-MU5ZEU8Q5V, 3-fluoro-2-methylbenzenamine, SCHEMBL392840, 4-chloro-2-fluoro benzoic acid, CK2227, SBB003797, 4-Chloro-2-fluorobenzoic acid, 98%, AKOS001281794, AC-3932, CS-W017485, HY-W016769, PS-8621, NCGC00337421-01, BP-11471, SY005386, DB-031131, A7042, C1668, NS00043939, ST50406060, EN300-21714, AB01330555-02, F0001-1215, Z104510482

Application

4-Chloro-2-fluorobenzoic acid serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for non-steroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. Its unique halogen substitution pattern makes it valuable for creating bioactive molecules through Suzuki coupling and other palladium-catalyzed reactions. Researchers also employ this compound in material science for developing liquid crystal materials and organic semiconductors.

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 (97.9%): 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 (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.