Description

3-Fluoro-4-nitrophenol (CAS No. 394-41-2) is a high-purity fluorinated nitroaromatic compound with the molecular formula C₆H₄FNO₃. This fine chemical is widely utilized in pharmaceutical synthesis, agrochemical research, and advanced material development due to its reactive phenolic and nitro functional groups. With a purity of ≥99%, it is ideal for precision applications in medicinal chemistry, where it serves as a key intermediate for the synthesis of fluorinated bioactive molecules. The compound is supplied as a crystalline solid with excellent batch-to-batch consistency, ensuring reliable performance in coupling reactions, electrophilic substitutions, and as a precursor for heterocyclic compounds. Proper storage in a cool, dry environment is recommended to maintain stability.

Properties

• CAS Number: 394-41-2
• Complexity: 158
• IUPAC Name: 3-fluoro-4-nitro-phenol
• InChI: InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
• InChI Key: CSSGKHVRDGATJL-UHFFFAOYSA-N
• Exact Mass: 157.01752115
• Molecular Formula: C6H4FNO3
• Molecular Weight: 157.10
• SMILES: C1=CC(=C(C=C1O)F)[N+](=O)[O-]
• Topological: 66.1
• Monoisotopic Mass: 157.01752115
• Synonyms: 3-Fluoro-4-nitrophenol, 394-41-2, Phenol, 3-fluoro-4-nitro-, EINECS 206-895-6, DTXSID2075346, DTXCID2039629, 206-895-6, 3-fluoro-4-nitro-phenol, MFCD00041251, 2-Fluoro-4-hydroxynitrobenzene, 3-Fluoro4-nitrophenol, 4-nitro-3-fluorophenol, 5-fluoro-4-nitrophenol, 3-fluoro-4-nitro phenol, SCHEMBL375963, 3-Fluoro-4-nitrophenol, 99%, SCHEMBL13858827, 4-hydroxy-2-fluoro-1-nitrobenzene, BCP26597, BBL101455, SBB063706, STL555251, AKOS005063849, AB01868, AC-3805, CS-W007386, FF63280, GS-3486, BP-13094, SY001609, DB-023975, F0348, NS00043683, ST51038016, EN300-55149, Q27460370, Z825783030, InChI=1/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9, FNN

3-Fluoro-4-nitrophenol is primarily used as a versatile building block in organic synthesis, particularly in the development of fluorinated pharmaceuticals and agrochemicals. It serves as a key intermediate for the preparation of active pharmaceutical ingredients (APIs) and specialty chemicals. Researchers also employ it in material science for modifying polymer properties and in dye synthesis. Its reactive nitro and hydroxyl groups make it valuable for cross-coupling reactions and nucleophilic substitutions.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (84.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (96.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (98%)
• Eye Dam. 1 (84.3%)
• Eye Irrit. 2 (13.7%)
• STOT SE 3 (96.1%)

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