Description

3-Bromo-2,6-difluorobenzaldehyde (CAS No. 398456-82-1) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₇H₃BrF₂O. This compound features a benzaldehyde core substituted with bromine at the 3-position and fluorine atoms at the 2- and 6-positions, offering unique reactivity for electrophilic aromatic substitution and cross-coupling reactions. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research, this reagent is rigorously tested for quality (typically ≥95% purity by GC/HPLC) and supplied in moisture-resistant packaging under inert conditions. Available in quantities from grams to kilograms, it is compatible with Suzuki, Stille, and other palladium-catalyzed transformations.

Properties

• CAS Number: 398456-82-1
• Complexity: 153
• IUPAC Name: 3-bromo-2,6-difluoro-benzaldehyde
• InChI: InChI=1S/C7H3BrF2O/c8-5-1-2-6(9)4(3-11)7(5)10/h1-3H
• InChI Key: OXBHKEYDKAWFLS-UHFFFAOYSA-N
• Exact Mass: 219.93353
• Molecular Formula: C7H3BrF2O
• Molecular Weight: 221.00
• SMILES: C1=CC(=C(C(=C1F)C=O)F)Br
• Topological: 17.1
• Monoisotopic Mass: 219.93353
• Synonyms: 3-Bromo-2,6-difluorobenzaldehyde, 398456-82-1, DTXSID60622808, DTXCID00573562, 640-121-1, MFCD08282773, 3-Bromo-2,6-difluoro-benzaldehyde, Benzaldehyde, 3-bromo-2,6-difluoro-, SCHEMBL658249, OXBHKEYDKAWFLS-UHFFFAOYSA-N, 3-bromo-2, 6-difluorobenzaldehyde, SBB096075, AKOS005254319, AS-18813, SY162717, DB-028846, CS-0146396, EN300-195674, Z1269191864

Application

3-Bromo-2,6-difluorobenzaldehyde serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly kinase inhibitors and CNS-targeting molecules. Its electron-deficient aromatic ring facilitates nucleophilic aromatic substitution (S_NAr) reactions in agrochemical production. The compound is also employed in ligand design for catalytic systems and as a precursor for liquid crystal materials.

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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