Description

2,6-Dichlorobenzotrifluoride (CAS No. 104359-35-5) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃Cl₂F₃. Also known as 1,3-dichloro-2-(trifluoromethyl)benzene, this specialty chemical is characterized by its two chlorine substituents and a trifluoromethyl group on a benzene ring, offering unique reactivity and stability for advanced synthetic applications. Its clear to pale-yellow liquid form (at room temperature) and low solubility in water make it ideal for organic synthesis, particularly in the preparation of agrochemicals, pharmaceuticals, and liquid crystals. With a boiling point of approximately 180-182°C and a density of 1.49 g/cm³, this compound is optimized for precision reactions under controlled conditions. Packaged under inert gas to ensure longevity, our 2,6-Dichlorobenzotrifluoride is rigorously tested via GC, NMR, and HPLC to meet ≥98% purity standards, making it a reliable choice for research and industrial-scale applications.

Properties

• CAS Number: 104359-35-5
• Complexity: 147
• IUPAC Name: 1,3-dichloro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3Cl2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
• InChI Key: MKSYCGMWKMMQPN-UHFFFAOYSA-N
• Exact Mass: 213.9563900
• Molecular Formula: C7H3Cl2F3
• Molecular Weight: 215.00
• SMILES: C1=CC(=C(C(=C1)Cl)C(F)(F)F)Cl
• Monoisotopic Mass: 213.9563900
• Synonyms: 2,6-Dichlorobenzotrifluoride, 893-798-2, 104359-35-5, 1,3-dichloro-2-(trifluoromethyl)benzene, 2,6-Dichloro-Benzotrifluoride, MFCD11035870, Benzene, 1,3-dichloro-2-(trifluoromethyl)-, 2.6-dichlorobenzotrifluoride, 2,6-Dichloro benzotrifluoride, SCHEMBL142242, SCHEMBL8722602, SCHEMBL10582834, DTXSID40275295, SBB095045, AKOS005258076, PS-7953, SY035394, CS-0312800

Application

2,6-Dichlorobenzotrifluoride serves as a versatile intermediate in the synthesis of fluorinated agrochemicals, including pesticides and herbicides, due to its electron-withdrawing trifluoromethyl group. It is also employed in pharmaceutical research for constructing trifluoromethyl-substituted aromatic scaffolds, which enhance drug metabolic stability. Additionally, this compound finds use in materials science for developing liquid crystals and specialty polymers with tailored thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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