Description

2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde (CAS No. 119895-68-0) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₈H₄F₂O₃. This specialized compound features a benzodioxole core substituted with two fluorine atoms and an aldehyde functional group, making it a versatile building block for organic synthesis and pharmaceutical research. With an IUPAC name of 2,2-difluoro-1,3-benzodioxole-4-carbaldehyde, this reagent is ideal for nucleophilic addition reactions, heterocyclic chemistry, and the development of fluorinated bioactive molecules. Offered with rigorous QC documentation, it is suitable for advanced applications in medicinal chemistry, agrochemical research, and materials science. Available in various packaging options to meet laboratory-scale and bulk requirements.

Properties

• CAS Number: 119895-68-0
• Complexity: 219
• IUPAC Name: 2,2-difluoro-1,3-benzodioxole-4-carbaldehyde
• InChI: InChI=1S/C8H4F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-4H
• InChI Key: NIBFJPXGNVPNHK-UHFFFAOYSA-N
• Exact Mass: 186.01285031
• Molecular Formula: C8H4F2O3
• Molecular Weight: 186.11
• SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C=O
• Topological: 35.5
• Monoisotopic Mass: 186.01285031
• Synonyms: 2,2-difluoro-1,3-benzodioxole-4-carboxaldehyde, 2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde, EC 700-476-6, 2,2-difluoro-benzo[1,3]dioxole-4-carbaldehyde, 700-476-6, 119895-68-0, 2,2-difluoro-1,3-benzodioxole-4-carbaldehyde, 2,2-Difluoro-4-formylbenzodioxole, 2,2-difluoro-2H-1,3-benzodioxole-4-carbaldehyde, 2,2-difluorobenzo[d][1,3]dioxole-4-carbaldehyde, 2,2-difluorobenzodioxole-4-carboxaldehyde, 1,3-Benzodioxole-4-carboxaldehyde, 2,2-difluoro-, MFCD00792419, 2,2-Difluoro-4-formyl-1,3-benzodioxole, 2,2-difluoro-1,3-benzodioxol-4-yl-carbaldehyde, SCHEMBL856114, SCHEMBL3199071, DTXSID90371736, BCP27930, BBL100831, CK2104, SBB090353, STL554625, AKOS005255431, PB29107, PS-8485, SY030674, 2,2-difluoro-1,3-benzodioxol-4-aldehyde, DB-041508, CS-0052189, NS00006538, 2,2-difluoro-1,3-dioxaindane-4-carbaldehyde, EN300-253559, 2,2-difluorobenzo[d]1,3-dioxolene-4-carbaldehyde, 2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde, 97%, F1911-3814, Z1201620556, 2,2-Difluoro-1,3-benzodioxole-4-carbaldehyde, AldrichCPR

Application

2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactive aldehyde group enables condensation reactions for heterocycle formation, particularly in benzodioxole-derived compounds. Researchers utilize this compound to develop novel enzyme inhibitors and fluorinated analogs of bioactive molecules. The electron-withdrawing fluorine atoms enhance stability and influence metabolic pathways in drug discovery applications.

Safety and Hazards

GHS Hazard Statements

• H315 (59.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (91.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (60.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (60.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (39.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (39.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
• H411 (37.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (59.5%)
• Skin Sens. 1 (91.9%)
• Eye Irrit. 2A (60.8%)
• STOT SE 3 (60.8%)
• Aquatic Acute 1 (39.2%)
• Aquatic Chronic 1 (39.2%)
• Aquatic Chronic 2 (37.8%)

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