Description

3,4-Difluorobenzoic acid (CAS No. 455-86-7) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₇H₄F₂O₂. This white to off-white crystalline solid is widely used as a key intermediate in pharmaceutical synthesis, agrochemical production, and advanced material research. With a purity of ≥98%, our product meets stringent quality standards for research and industrial applications. The compound exhibits excellent chemical stability and solubility in common organic solvents like DMSO, methanol, and dichloromethane. Each batch undergoes rigorous HPLC and NMR analysis to ensure consistency and reliability for your critical applications. Available in convenient packaging options ranging from grams to kilograms, this material is ideal for medicinal chemistry, liquid crystal development, and fluorinated polymer research.

Properties

• CAS Number: 455-86-7
• Complexity: 161
• IUPAC Name: 3,4-difluorobenzoic acid
• InChI: InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
• InChI Key: FPENCTDAQQQKNY-UHFFFAOYSA-N
• Exact Mass: 158.01793569
• Molecular Formula: C7H4F2O2
• Molecular Weight: 158.10
• SMILES: C1=CC(=C(C=C1C(=O)O)F)F
• Topological: 37.3
• Monoisotopic Mass: 158.01793569
• Physical Description: White crystalline powder; Odorless;
• Synonyms: 3,4-Difluorobenzoic acid, 455-86-7, Benzoic acid, 3,4-difluoro-, EINECS 207-249-6, NSC 190686, DTXSID60196539, DTXCID50119030, 207-249-6, fpenctdaqqqkny-uhfffaoysa-n, inchi=1/c7h4f2o2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3h,(h,10,11, 3,4-Difluorobenzoicacid, MFCD00011672, 3,4-difluoro-benzoic acid, NSC-190686, NSC190686, J5J3RFV8N6, SCHEMBL27151, SCHEMBL5685055, 3,4-Difluorobenzoic acid, 98%, CK2210, SBB006721, STK802568, AKOS000121204, AC-6252, BS-3870, CS-W009127, SY005367, DB-021885, D1908, NS00044053, ST50824666, EN300-18968, AN-652/40227387, F0001-1233, Z104341246

3,4-Difluorobenzoic acid serves as a versatile building block in pharmaceutical development, particularly for creating fluorine-containing drug candidates with enhanced metabolic stability. In material science, it’s employed as a precursor for liquid crystal compounds and specialty polymers. The compound finds additional use in agrochemical synthesis where the difluoro substitution pattern improves biological activity. Researchers value its utility in Suzuki coupling reactions and other transition metal-catalyzed processes.

Safety and Hazards

GHS Hazard Statements

• H302 (83.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.9%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (83.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (95.9%)

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