Description

3-Chloro-2-fluorophenol (CAS No. 2613-22-1) is a high-purity halogenated phenol derivative with the molecular formula C₆H₄ClFO. This compound is meticulously synthesized for use in advanced organic synthesis, pharmaceutical intermediates, and agrochemical research. Its unique structure, featuring both chloro and fluoro substituents on the aromatic ring, makes it a versatile building block for nucleophilic aromatic substitution reactions and cross-coupling methodologies. Available in >98% purity (GC), our product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure compliance with research-grade standards. Packaged under inert gas to prevent degradation, it is ideal for sensitive applications in medicinal chemistry and material science. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 2613-22-1
• Complexity: 99.1
• IUPAC Name: 3-chloro-2-fluoro-phenol
• InChI: InChI=1S/C6H4ClFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
• InChI Key: PCHPYNHSMSAJEU-UHFFFAOYSA-N
• Exact Mass: 145.9934706
• Molecular Formula: C6H4ClFO
• Molecular Weight: 146.54
• SMILES: C1=CC(=C(C(=C1)Cl)F)O
• Topological: 20.2
• Monoisotopic Mass: 145.9934706
• Synonyms: 3-Chloro-2-fluorophenol, 2613-22-1, DTXSID50378660, DTXCID00329687, 670-688-0, Phenol, 3-chloro-2-fluoro-, MFCD01631572, 3-Chloro-2-fluoro-phenol, 2-fluoro-3-chloro-phenol, SCHEMBL912023, SCHEMBL2049779, SCHEMBL3645962, SCHEMBL28062621, PCHPYNHSMSAJEU-UHFFFAOYSA-N, BBL102698, SBB086514, STL556503, 3-Chloro-2-fluorophenol, AldrichCPR, AKOS009159502, AC-3772, CS-W018221, PS-8943, SY023176, DB-023853, EN300-106502

Application

3-Chloro-2-fluorophenol serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) with antimicrobial or anti-inflammatory properties. It is also employed in agrochemical research for designing novel herbicides and pesticides due to its halogenated aromatic backbone. Researchers utilize this compound in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to construct complex heterocycles.

Safety and Hazards

GHS Hazard Statements

• H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (10.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H411 (12.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• H412 (85.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.8%)
• Aquatic Chronic 3 (85.4%)

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