Description

3,5-Difluoro-2-hydroxybenzaldehyde (CAS: 63954-77-8) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₇H₄F₂O₂. This compound is a versatile building block in organic synthesis, particularly for pharmaceutical and agrochemical applications. Its unique structure, featuring both aldehyde and hydroxyl functional groups, enables selective modifications for drug discovery and material science. Available in ≥98% purity by HPLC, this product is rigorously tested for consistency and stability, ensuring reliable performance in research and industrial processes. Suitable for use under inert conditions, it is packaged in amber glass vials to prevent degradation.

Properties

• CAS Number: 63954-77-8
• Complexity: 151
• IUPAC Name: 3,5-difluoro-2-hydroxy-benzaldehyde
• InChI: InChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
• InChI Key: QGSAZWCEHUYVMW-UHFFFAOYSA-N
• Exact Mass: 158.01793569
• Molecular Formula: C7H4F2O2
• Molecular Weight: 158.10
• SMILES: C1=C(C=C(C(=C1C=O)O)F)F
• Topological: 37.3
• Monoisotopic Mass: 158.01793569
• Synonyms: 3,5-difluoro-2-hydroxybenzaldehyde, 63954-77-8, DTXSID40381421, DTXCID70332446, 625-317-7, 3,5-Difluorosalicylaldehyde, MFCD04039224, Benzaldehyde, 3,5-difluoro-2-hydroxy-, 3,5-difluoro-salicylaldehyde, SCHEMBL1405241, CHEMBL3660360, QGSAZWCEHUYVMW-UHFFFAOYSA-N, BDBM111027, BBL100040, SBB087257, STL511017, AKOS005256420, CS-W017964, PS-8815, SY106773, DB-073420, EN300-134692, US8614253, .3-58, Z979493254

3,5-Difluoro-2-hydroxybenzaldehyde is widely used as a key intermediate in the synthesis of bioactive molecules, including enzyme inhibitors and fluorinated pharmaceuticals. Its reactivity allows for selective derivatization in cross-coupling reactions and Schiff base formations. Researchers also employ it in the development of fluorescent probes and coordination complexes for catalysis. This compound is particularly valuable in medicinal chemistry for optimizing drug solubility and metabolic stability.

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. 2 (100%)
• STOT SE 3 (100%)

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