Description

1-(Chloromethyl)-2-(trifluoromethoxy)benzene (CAS: 116827-40-8) is a high-purity specialty chemical with the molecular formula C₈H₆ClF₃O, designed for advanced research and industrial applications. This compound features a reactive chloromethyl group and a trifluoromethoxy substituent on the benzene ring, making it a versatile intermediate in organic synthesis, pharmaceuticals, and agrochemicals. Its unique structure enables applications in cross-coupling reactions, nucleophilic substitutions, and as a building block for fluorinated compounds. Packaged under strict quality control, this product is ideal for researchers requiring consistent and reliable performance in sensitive chemical processes. Available in various quantities to suit laboratory and bulk-scale needs.

Properties

• CAS Number: 116827-40-8
• Complexity: 160
• IUPAC Name: 1-(chloromethyl)-2-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H6ClF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2
• InChI Key: ZGXDTWNEZOBSBJ-UHFFFAOYSA-N
• Exact Mass: 210.0059270
• Molecular Formula: C8H6ClF3O
• Molecular Weight: 210.58
• SMILES: C1=CC=C(C(=C1)CCl)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 210.0059270
• Synonyms: 1-(chloromethyl)-2-(trifluoromethoxy)benzene, 642-612-6, 116827-40-8, 2-(Trifluoromethoxy)benzyl chloride, Benzene, 1-(chloromethyl)-2-(trifluoromethoxy)-, 2-trifluoromethyoxy) benzyl chloride, MFCD00221456, SCHEMBL3151346, o-trifluoromethoxybenzyl chloride, 2-trifluoromethoxybenzyl chloride, SCHEMBL28793420, DTXSID80405296, ALBB-005909, STK503613, AKOS000262289, PS-10647, DB-023767, EN300-1938223

1-(Chloromethyl)-2-(trifluoromethoxy)benzene serves as a key intermediate in the synthesis of fluorinated aromatic compounds, particularly in pharmaceutical and agrochemical development. Its reactive chloromethyl group facilitates further functionalization, enabling the creation of complex molecules with enhanced bioactivity. Researchers utilize this compound in cross-coupling reactions to introduce trifluoromethoxy-containing moieties into target structures. It is also employed in the preparation of liquid crystals and specialty polymers due to its stability and electronic properties. Strict handling under inert conditions is recommended to preserve its reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (14.3%)
• Skin Corr. 1B (100%)
• Eye Irrit. 2 (28.6%)
• STOT SE 3 (14.3%)

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