Description

2-Chloro-5-fluorophenol (CAS No. 3827-49-4) is a halogenated phenolic compound with the molecular formula C₆H₄ClFO. This high-purity reagent is ideal for pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique structure, featuring both chloro and fluoro substituents on the phenol ring, makes it a versatile building block for nucleophilic aromatic substitution reactions and cross-coupling methodologies. Available in >98% purity (GC), this compound is supplied in amber glass vials under inert atmosphere to ensure stability. Suitable for use in HPLC, LC-MS, and NMR applications. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 3827-49-4
• Complexity: 99.1
• IUPAC Name: 2-chloro-5-fluoro-phenol
• InChI: InChI=1S/C6H4ClFO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
• InChI Key: CMQOZIKIOASEIN-UHFFFAOYSA-N
• Exact Mass: 145.9934706
• Molecular Formula: C6H4ClFO
• Molecular Weight: 146.54
• SMILES: C1=CC(=C(C=C1F)O)Cl
• Topological: 20.2
• Monoisotopic Mass: 145.9934706
• Synonyms: 2-chloro-5-fluorophenol, 3827-49-4, DTXSID80369147, DTXCID90320183, 609-539-1, MFCD00042524, 2-chloro-5-fluoro-phenol, SCHEMBL70547, SCHEMBL3643544, SCHEMBL3982818, SCHEMBL28910763, SBB086520, AKOS005063843, CS-W004781, PS-8945, AC-25971, BP-20171, SY022945, DB-006067, NS00120744, ST50824046, EN300-115639

Application

2-Chloro-5-fluorophenol serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. It is particularly valuable in the development of fluorinated drug candidates and agrochemicals due to its enhanced bioavailability and metabolic stability. Researchers utilize this compound in Suzuki-Miyaura couplings and as a precursor for advanced polymer modifiers. Its halogenated phenol structure also finds use in material science for creating flame retardants and liquid crystal displays (LCDs).

Safety and Hazards

GHS Hazard Statements

• H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (22.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (22.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (77.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (88.9%)
• Acute Tox. 4 (88.9%)
• Skin Corr. 1B (77.8%)
• Skin Irrit. 2 (22.2%)
• Eye Irrit. 2 (22.2%)
• Acute Tox. 4 (11.1%)
• STOT SE 3 (22.2%)
• Aquatic Chronic 2 (77.8%)

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