Description

2,3-Difluorobenzoic Acid (CAS No. 4519-39-5) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₄F₂O₂. This compound is a versatile intermediate in organic synthesis, pharmaceutical development, and materials science. With a purity of ≥98%, it is ideal for research applications requiring precise chemical modifications. The presence of fluorine atoms at the 2 and 3 positions enhances its reactivity, making it valuable for nucleophilic substitution reactions, cross-coupling reactions, and as a building block for agrochemicals and active pharmaceutical ingredients (APIs). Packaged under inert conditions to ensure stability, this product is available in various quantities to meet laboratory and industrial needs.

Properties

• CAS Number: 4519-39-5
• Complexity: 161
• IUPAC Name: 2,3-difluorobenzoic acid
• InChI: InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
• InChI Key: JLZVIWSFUPLSOR-UHFFFAOYSA-N
• Exact Mass: 158.01793569
• Molecular Formula: C7H4F2O2
• Molecular Weight: 158.10
• SMILES: C1=CC(=C(C(=C1)F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 158.01793569
• Synonyms: 2,3-Difluorobenzoic acid, 4519-39-5, 628-337-4, jlzviwsfuplsor-uhfffaoysa-n, 2,3-Difluorobenzoicacid, MFCD00010267, 2,3-difluoro-benzoic acid, difluorobenzoic acid, 2,3 difluorobenzoic acid, SCHEMBL365453, SCHEMBL1386835, DTXSID90871084, 2,3-Difluorobenzoic acid, 98%, BCP26993, BBL027777, SBB006679, STL374067, AKOS005254889, AC-3948, CS-W007697, PS-8817, BP-12438, SY012745, DB-030774, D2058, ST50824668, EN300-61019, Z959143646

2,3-Difluorobenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and specialty materials. Its reactivity makes it suitable for cross-coupling reactions in medicinal chemistry, particularly in the development of bioactive molecules. Researchers also utilize it in the preparation of liquid crystals and advanced polymers due to its unique electronic properties.

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 (98%): 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 (98%)

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