Description

1-Fluoro-2-(trifluoromethoxy)benzene (CAS No. 2106-18-5) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₄F₄O. This specialty chemical is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research due to its unique trifluoromethoxy and fluoro substituents, which enhance reactivity and stability. Our product undergoes rigorous quality control to ensure ≥98% purity (GC), making it ideal for precision applications. Available in sealed glass vials or custom bulk quantities, it is stored under inert conditions to maintain integrity. Key identifiers include MFCD00236322, SCHEMBL148186, and DTXSID60380451. Suitable for nucleophilic substitutions, cross-coupling reactions, and as a building block for liquid crystals or OLED materials.

Properties

• CAS Number: 2106-18-5
• Complexity: 145
• IUPAC Name: 1-fluoro-2-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H4F4O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
• InChI Key: UKRYEFFTFFRSPY-UHFFFAOYSA-N
• Exact Mass: 180.01982740
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.10
• SMILES: C1=CC=C(C(=C1)OC(F)(F)F)F
• Topological: 9.2
• Monoisotopic Mass: 180.01982740
• Synonyms: 1-Fluoro-2-(trifluoromethoxy)benzene, UKRYEFFTFFRSPY-UHFFFAOYSA-, 678-538-6, inchi=1/c7h4f4o/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4h, 2-(Trifluoromethoxy)fluorobenzene, 2106-18-5, Benzene, 1-fluoro-2-(trifluoromethoxy)-, MFCD00236322, 2-Fluloro-1-(trifluoromethoxy)benzene, 2-fluorotrifluoromethoxybenzene, trifluoro(2-fluorophenoxy)methane, Benzene, fluoro(trifluoromethoxy)-, SCHEMBL148186, SCHEMBL160453, SCHEMBL191542, SCHEMBL255271, SCHEMBL900817, o-fluoro(trifluoromethoxy)benzene, DTXSID60380451, 1-fluoro-2-trifluoromethoxybenzene, 3-fluoro-4-trifluoromethoxybenzene, SBB089617, AKOS005145735, CS-W002574, PS-8538, AC-25595, SY018911, DB-005794, ST50407412, T2150, EN300-198351

1-Fluoro-2-(trifluoromethoxy)benzene serves as a versatile intermediate in medicinal chemistry for synthesizing fluorinated drug candidates, particularly in CNS and antiviral therapies. Its electron-withdrawing groups make it valuable in agrochemical formulations to improve pesticide stability. Researchers also employ it in material science for designing fluorinated polymers and optoelectronic components.

Safety and Hazards

GHS Hazard Statements

• H224 (66.7%): Extremely flammable liquid and vapor [Danger Flammable liquids]
• H225 (16.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (16.7%)
• Flam. Liq. 3 (16.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (83.3%)

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