Description

5-Fluororesorcinol (CAS No. 75996-29-1) is a fluorinated derivative of resorcinol with the molecular formula C₆H₅FO₂ and IUPAC name 5-fluorobenzene-1,3-diol. This high-purity compound is a valuable building block in organic synthesis, pharmaceutical research, and material science applications. The presence of both hydroxyl groups and a fluorine atom on the aromatic ring provides unique reactivity for electrophilic substitution and cross-coupling reactions.

Our 5-Fluororesorcinol is synthesized under strict quality control measures to ensure >98% purity (HPLC), with batch-specific certificates of analysis available. The compound is supplied as a white to off-white crystalline powder, soluble in organic solvents such as ethanol, methanol, and DMSO, but with limited solubility in water. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

This specialty chemical is particularly useful for researchers developing fluorinated pharmaceuticals, agrochemicals, or advanced materials. The electron-withdrawing fluorine atom alters the electronic properties of the aromatic system compared to unsubstituted resorcinol, making it valuable for structure-activity relationship studies.

Properties

• CAS Number: 75996-29-1
• Complexity: 87.1
• IUPAC Name: 5-fluorobenzene-1,3-diol
• InChI: InChI=1S/C6H5FO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
• InChI Key: LYFBZGKZAZBANN-UHFFFAOYSA-N
• Exact Mass: 128.02735756
• Molecular Formula: C6H5FO2
• Molecular Weight: 128.10
• SMILES: C1=C(C=C(C=C1O)F)O
• Topological: 40.5
• Monoisotopic Mass: 128.02735756
• Synonyms: 5-Fluororesorcinol, 811-095-0, 5-Fluorobenzene-1,3-diol, 75996-29-1, 5-Fluoro-benzene-1,3-diol, 1,3-Benzenediol, 5-fluoro-, MFCD08457182, 3,5-dihydroxyfluorobenzene, SCHEMBL972239, 1-Fluoro-3,5-dihydroxybenzene, SCHEMBL4718147, CHEMBL2332778, SCHEMBL28984673, DTXSID80505942, LYFBZGKZAZBANN-UHFFFAOYSA-N, ADA99629, ZH0003, AKOS006288247, DS-7470, DB-139815, CS-0146737, F1081, EN300-171230, F52031, Z1198179531

Application

5-Fluororesorcinol serves as a key intermediate in the synthesis of fluorinated pharmaceutical compounds, particularly those targeting CNS disorders and infectious diseases. The compound finds application in materials science for developing specialty polymers with enhanced thermal stability. Researchers utilize this fluorinated phenol in organic synthesis as a directing group for regioselective functionalization of aromatic systems. Its unique electronic properties make it valuable for studying enzyme-substrate interactions in biochemical research.

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 (50%): 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 (50%)

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