Description

2-Fluoro-5-(trifluoromethyl)benzyl chloride (CAS No. 883543-26-8) is a high-purity fluorinated benzyl chloride derivative with the molecular formula C₈H₅ClF₄. This organofluorine compound, also known by its IUPAC name 2-(chloromethyl)-1-fluoro-4-(trifluoromethyl)benzene, is a versatile building block for pharmaceutical, agrochemical, and specialty chemical synthesis. The presence of both fluoro and trifluoromethyl groups enhances its reactivity and lipophilicity, making it valuable for structure-activity relationship (SAR) studies. Our product is rigorously tested by HPLC, GC, and NMR to ensure >98% purity, packaged under inert gas to prevent degradation. Available in research (1g-100g) and bulk (1kg+) quantities with optional custom synthesis services.

Properties

• CAS Number: 883543-26-8
• Complexity: 168
• IUPAC Name: 2-(chloromethyl)-1-fluoro-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H5ClF4/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
• InChI Key: OZGWDDBROIXNRQ-UHFFFAOYSA-N
• Exact Mass: 212.0015905
• Molecular Formula: C8H5ClF4
• Molecular Weight: 212.57
• SMILES: C1=CC(=C(C=C1C(F)(F)F)CCl)F
• Monoisotopic Mass: 212.0015905
• Synonyms: 883543-26-8, 2-fluoro-5-(trifluoromethyl)benzyl chloride, DTXSID90374666, DTXCID70325696, 2-(chloromethyl)-1-fluoro-4-(trifluoromethyl)benzene, 2-Fluoro-5-trifluoromethylbenzyl chloride, 2-fluoro-5-trifluoromethylbenzylchloride, 2-fluoro-5-(trifluoromethyl)benzylchloride, MFCD05864315, SCHEMBL16758990, OZGWDDBROIXNRQ-UHFFFAOYSA-N, CK1014, SBB070787, AKOS005255570, AC-7452, PS-10649, 2-fluoro-5-trifluoromethyl benzyl chloride, EN300-1933431

Application

This compound serves as a key intermediate in the synthesis of bioactive molecules, particularly in medicinal chemistry for developing fluorinated drug candidates. It is used in cross-coupling reactions to introduce the 2-fluoro-5-(trifluoromethyl)benzyl moiety into target structures. The electron-withdrawing properties of the trifluoromethyl group make it valuable for creating metabolic-stable analogs in pesticide development. Researchers also utilize it as a precursor for liquid crystal materials and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Corr. 1B (100%)
• Acute Tox. 4 (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.