Description

2-Chloro-5-(trifluoromethyl)nicotinic acid (CAS No. 505084-59-3) is a high-purity heterocyclic carboxylic acid derivative with the molecular formula C₇H₃ClF₃NO₂. This compound, also known by its IUPAC name 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid, features a pyridine ring substituted with a chloro group at the 2-position, a trifluoromethyl group at the 5-position, and a carboxylic acid moiety at the 3-position. Its unique structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients and fine chemicals. Available in >98% purity (HPLC), this product is supplied as a white to off-white crystalline powder with excellent batch-to-batch consistency. Suitable for research, process development, and scale-up applications. Store in a cool, dry place under inert atmosphere.

Properties

• CAS Number: 505084-59-3
• Complexity: 233
• IUPAC Name: 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
• InChI: InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)
• InChI Key: RMSKYTKOFDQVEL-UHFFFAOYSA-N
• Exact Mass: 224.9804405
• Molecular Formula: C7H3ClF3NO2
• Molecular Weight: 225.55
• SMILES: C1=C(C=NC(=C1C(=O)O)Cl)C(F)(F)F
• Topological: 50.2
• Monoisotopic Mass: 224.9804405
• Synonyms: 2-Chloro-5-(trifluoromethyl)nicotinic acid, 684-460-3, 505084-59-3, 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid, 2-chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid, MFCD08741353, 2-Chloro-5-trifluoromethyl-nicotinic acid, 2-chloro-5-trifluoromethylnicotinic acid, 3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-5-(TRIFLUOROMETHYL)-, 2-Chloro-5-(trifluoromethyl)nicotinicAcid, SCHEMBL1585179, DTXSID90478375, BCP11617, BBL101067, SBB052862, STL554861, AKOS005255973, AB48756, CS-W008174, PS-6917, AC-25222, BL003417, SY020525, DB-011798, EN300-49455, 2-chloro-5-(trifluoromethyl)-3-pyridine carboxylic acid, Z381542710, 2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid, 97%

Application

2-Chloro-5-(trifluoromethyl)nicotinic acid serves as a key building block in medicinal chemistry for the synthesis of trifluoromethylpyridine-containing drug candidates. The compound is particularly useful in developing herbicides, insecticides, and pharmaceutical intermediates due to the biological activity imparted by the trifluoromethyl group. Its reactive carboxylic acid group allows for further derivatization via amidation, esterification, or coupling reactions. Researchers also utilize this heterocycle in metal-catalyzed cross-coupling reactions to construct complex molecular architectures.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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