Description

3-Chloro-4-fluorophenol (CAS No. 2613-23-2) is a high-purity halogenated phenol derivative with the molecular formula C₆H₄ClFO. This compound is a versatile intermediate in organic synthesis, characterized by its distinct chloro and fluoro substituents on the phenolic ring, which enhance its reactivity and utility in cross-coupling reactions, pharmaceutical synthesis, and agrochemical applications. With a purity grade of ≥98%, our product is rigorously tested via GC/MS, HPLC, and NMR to ensure consistency and reliability for research and industrial use. Suitable for use under inert conditions due to its sensitivity to oxidation, it is supplied in amber glass vials or bulk packaging with optional argon sealing for extended shelf life. Ideal for researchers developing advanced materials, APIs, or specialty chemicals.

Properties

• CAS Number: 2613-23-2
• Complexity: 99.1
• IUPAC Name: 3-chloro-4-fluoro-phenol
• InChI: InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
• InChI Key: ZQXLIXHVJVAPLW-UHFFFAOYSA-N
• Exact Mass: 145.9934706
• Molecular Formula: C6H4ClFO
• Molecular Weight: 146.54
• SMILES: C1=CC(=C(C=C1O)Cl)F
• Topological: 20.2
• Monoisotopic Mass: 145.9934706
• Synonyms: 3-Chloro-4-fluorophenol, 2613-23-2, EINECS 220-042-5, DTXSID70180762, DTXCID10103253, 220-042-5, Phenol, 3-chloro-4-fluoro-, MFCD00002257, 3-chloro-4-fluoro-phenol, 3-chloro4-fluorophenol, 3-chloro-4-luorophenol, SCHEMBL232552, SCHEMBL522998, SCHEMBL28741674, 3-Chloro-4-fluorophenol, 97%, 3-Chloro-4-fluorophenol, 98%, CHEBI:194666, SBB086516, AKOS000119338, AC-3773, CS-W007874, FC34759, PS-8941, SY023667, DB-023854, NS00046848, ST50824044, EN300-20304, Z104477690, InChI=1/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9

Application

3-Chloro-4-fluorophenol serves as a key building block in the synthesis of pharmaceuticals, particularly in the development of antimicrobial and anti-inflammatory agents. Its halogenated structure makes it valuable for Suzuki-Miyaura and Buchwald-Hartwig coupling reactions in drug discovery. The compound is also employed in agrochemical research for creating herbicides and pesticides with enhanced activity. Additionally, it finds use in material science as a precursor for functionalized polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (89.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (83.3%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (14.6%)
• Acute Tox. 4 (14.6%)
• Skin Irrit. 2 (89.6%)
• Eye Irrit. 2 (89.6%)
• STOT SE 3 (83.3%)

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