Description

5-Chloro-2-fluorobenzoic acid (CAS No. 394-30-9) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₇H₄ClFO₂. This fine chemical is widely utilized in pharmaceutical research, agrochemical synthesis, and material science due to its versatile reactivity and halogen-substituted aromatic structure. With a purity of ≥97%, our product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency for demanding applications. The compound is supplied as a white to off-white crystalline powder, packaged under inert conditions to guarantee stability. Ideal for coupling reactions, ligand synthesis, and as a building block for complex organic frameworks, this reagent is a staple in advanced laboratories.

Properties

• CAS Number: 394-30-9
• Complexity: 163
• IUPAC Name: 5-chloro-2-fluoro-benzoic acid
• InChI: InChI=1S/C7H4ClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
• InChI Key: WGAVMKXCDMQVNF-UHFFFAOYSA-N
• Exact Mass: 173.9883852
• Molecular Formula: C7H4ClFO2
• Molecular Weight: 174.55
• SMILES: C1=CC(=C(C=C1Cl)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 173.9883852
• Synonyms: 5-Chloro-2-fluorobenzoic acid, 394-30-9, Benzoic acid, 5-chloro-2-fluoro-, DTXSID60371425, DTXCID80322459, 630-038-9, 2-fluoro-5-chlorobenzoic acid, 5-chloro-2-fluoro-benzoic Acid, MFCD00665762, 2-Fluoro-5-chlorobenzoic Acid; 5-Chloro-2-fluoro-benzoic Acid;, SCHEMBL283203, BBL100255, SBB063130, STL169010, 5-Chloro-2-fluorobenzoic acid, 97%, AKOS001274850, AB06694, BS-3949, CS-W002658, NCGC00337407-01, SY017058, DB-007006, C2094, ST50407398, EN300-21731, AB01329667-02, Z107365798

5-Chloro-2-fluorobenzoic acid serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and agrochemicals. Its reactive carboxyl and halogen groups enable Suzuki couplings, amidation, and other cross-coupling reactions. Researchers also employ it in the development of liquid crystal materials and metal-organic frameworks (MOFs). The compound’s stability under acidic conditions makes it suitable for multi-step synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (11.1%): 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 (11.1%): 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 (11.1%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (11.1%)
• 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.