Description

2-Chloro-6-fluorophenol (CAS No. 2040-90-6) is a halogenated phenolic compound with the molecular formula C₆H₄ClFO. This high-purity reagent is ideal for pharmaceutical synthesis, agrochemical research, and advanced material development. 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 chemistry. Available in >98% purity (GC), this compound is supplied in amber glass vials under inert atmosphere to ensure stability. Suitable for use as an intermediate in medicinal chemistry, particularly in the development of bioactive molecules and fluorinated analogs. Store at 2-8°C in a dry, well-ventilated area.

Key Features:
– Molecular Weight: 146.55 g/mol
– Boiling Point: 195-197°C
– Melting Point: 32-35°C
– Density: 1.381 g/cm³
– Hazard Codes: Xn (Harmful)
– RTECS Number: SL5775000

Properties

• CAS Number: 2040-90-6
• Complexity: 99.1
• IUPAC Name: 2-chloro-6-fluoro-phenol
• InChI: InChI=1S/C6H4ClFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
• InChI Key: QIAQIYQASAWZPP-UHFFFAOYSA-N
• Exact Mass: 145.9934706
• Molecular Formula: C6H4ClFO
• Molecular Weight: 146.54
• SMILES: C1=CC(=C(C(=C1)Cl)O)F
• Topological: 20.2
• Monoisotopic Mass: 145.9934706
• Synonyms: 2-Chloro-6-fluorophenol, 2040-90-6, DTXSID1047738, DTXCID5027722, 606-545-6, qiaqiyqasawzpp-uhfffaoysa-n, Phenol, 2-chloro-6-fluoro-, MFCD01631574, 2-chloro-6-fluoro-phenol, 2-chloro-6-fluoro phenol, 6-chloro-2-fluorophenol, 6-Chloro-2-fluoro phenol, EC 433-890-8, 20651-57-4, SCHEMBL444678, SCHEMBL1020947, SCHEMBL5375204, SCHEMBL22769601, 2-Chloro-6-fluorophenol, 98%, SBB086513, AKOS005145588, CS-W013310, PS-8940, AC-25972, DB-013001, C2049, NS00026619, ST50824045, A19904, EN300-122095

Application

2-Chloro-6-fluorophenol serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly COX-2 inhibitors and antibacterial agents. Its electron-deficient aromatic ring facilitates regioselective functionalization in palladium-catalyzed coupling reactions. Researchers utilize this compound to develop novel liquid crystal materials and agrochemicals due to its stable halogen substituents. The orthogonal reactivity of the chloro and fluoro groups enables sequential derivatization in multi-step syntheses.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H340: May cause genetic defects [Danger Germ cell mutagenicity]
• H361f: Suspected of damaging fertility [Warning Reproductive toxicity]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

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

If you are interested or have any questions, please contact us at support@atomfair.com

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