Description

2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine (CAS No. 628692-22-8) is a high-purity fluorinated pyridine derivative with the molecular formula C₆H₂ClF₄N. This heterocyclic compound is characterized by its unique trifluoromethyl and chloro-fluoro substitution pattern, making it a valuable intermediate in pharmaceutical, agrochemical, and specialty chemical synthesis. Its precise molecular structure ensures excellent reactivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. Supplied as a clear to pale-yellow liquid or low-melting solid, it is rigorously tested for purity (typically ≥95% by GC or HPLC) and stored under inert conditions to maintain stability. Ideal for researchers developing novel bioactive molecules, this compound is packaged in amber glass vials with secure closures to prevent moisture ingress and degradation.

Properties

• CAS Number: 628692-22-8
• Complexity: 160
• IUPAC Name: 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine
• InChI: InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H
• InChI Key: YKQVABFVOGPIKX-UHFFFAOYSA-N
• Exact Mass: 198.9811894
• Molecular Formula: C6H2ClF4N
• Molecular Weight: 199.53
• SMILES: C1=CN=C(C(=C1C(F)(F)F)F)Cl
• Topological: 12.9
• Monoisotopic Mass: 198.9811894
• Synonyms: 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine, 628692-22-8, DTXSID20382315, DTXCID00333340, 672-531-1, MFCD04038326, Pyridine, 2-chloro-3-fluoro-4-(trifluoromethyl)-, SCHEMBL1961605, BBL102777, SBB092512, STL556583, AKOS005254439, CS-W010501, PS-8227, SB52426, AC-23695, SY109485, 2-chloro-3-fluoro-4-trifluoromethylpyridine, DB-073209, ST50826509, 2-chloro-3-fluoro-4-(trifluoromethyl)pyridine, 97%

Application

2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine serves as a key building block in medicinal chemistry for the synthesis of trifluoromethylated drug candidates, particularly in CNS and antiviral research. Its electron-deficient pyridine core facilitates Suzuki-Miyaura and Buchwald-Hartwig couplings in agrochemical development for advanced crop protection agents. The compound is also employed in material science for creating fluorinated liquid crystals and corrosion inhibitors.

Safety and Hazards

GHS Hazard Statements

• H300 (86.4%): Fatal if swallowed [Danger Acute toxicity, oral]
• H302 (13.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (13.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (13.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 2 (86.4%)
• Acute Tox. 4 (13.6%)
• Acute Tox. 4 (13.6%)
• Skin Irrit. 2 (97.7%)
• Eye Irrit. 2 (97.7%)
• Acute Tox. 4 (13.6%)
• STOT SE 3 (97.7%)

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