Description

2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid (CAS No. 656-46-2) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₄F₂O₄. This specialty chemical features a benzodioxole core functionalized with two fluorine atoms at the 2-position and a carboxylic acid group at the 5-position, offering unique reactivity for advanced synthetic applications. With a molecular weight of 202.11 g/mol, this white to off-white crystalline powder is ideal for pharmaceutical intermediates, agrochemical research, and material science applications. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in amber glass vials under inert atmosphere to guarantee stability. Suitable for use in Suzuki couplings, esterification reactions, and as a building block for fluorinated liquid crystals.

Properties

• CAS Number: 656-46-2
• Complexity: 256
• IUPAC Name: 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
• InChI: InChI=1S/C8H4F2O4/c9-8(10)13-5-2-1-4(7(11)12)3-6(5)14-8/h1-3H,(H,11,12)
• InChI Key: VJLDRFCNFNQTTH-UHFFFAOYSA-N
• Exact Mass: 202.00776493
• Molecular Formula: C8H4F2O4
• Molecular Weight: 202.11
• SMILES: C1=CC2=C(C=C1C(=O)O)OC(O2)(F)F
• Topological: 55.8
• Monoisotopic Mass: 202.00776493
• Synonyms: 656-46-2, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, DTXSID00346016, DTXCID50297089, 613-828-8, 2,2-Difluorobenzo[d][1,3]dioxole-5-carboxylic acid, 2,2-Difluorobenzodioxole-5-carboxylic acid, 2,2-DIFLUORO-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, MFCD00792417, 3,4-[Difluoromethylenedioxy]benzoic acid, SCHEMBL351400, 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-, 2,2-Difluorobenzo[d][1,3]dioxole-5-carboxylicacid, 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACID, SBB053354, AKOS005762881, CS-W015523, PB10171, PS-6613, SY041886, DB-054830, NS00125997, ST50407380, EN300-97407, P10143, 2,2-difluoro-1,3-dioxaindane-5-carboxylic acid, 2,2-difluorobenzo-1,3dioxole-5-carboxylic acid, 2,2-difluorobenzo[1,3]dioxol-5-carboxylic acid, 2,2-difluoro-benzo[1,3]dioxol-5-carboxylic acid, 2,2-difluorobenzo-1,3-dioxole-5-carboxylic acid, 2,2-difluorobenzo[1,3]dioxole-5-carboxylic acid, 2, 2-difluorobenzo-1, 3-dioxole-5-carboxylic acid, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid #, 2,2-difluorobenzo[d]1,3-dioxolane-5-carboxylic acid, 2,2-difluorobenzo[d]1,3-dioxolene-5-carboxylic acid, Z1269219783

Application

2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid serves as a key intermediate in the synthesis of fluorinated pharmaceutical compounds, particularly protease inhibitors and kinase-targeted therapies. The electron-withdrawing properties of the difluorobenzodioxole moiety make it valuable for developing advanced materials with enhanced thermal stability. Researchers utilize this compound to create novel fluorinated liquid crystals for display technologies and as a precursor for corrosion-resistant coatings.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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