Description

1-Fluoro-3-(trifluoromethoxy)benzene (CAS No. 1077-01-6) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₄F₄O. This specialty chemical is characterized by its unique trifluoromethoxy and fluoro substituents on the benzene ring, making it a valuable intermediate in organic synthesis and materials science. It is supplied as a clear, colorless to pale yellow liquid with exceptional stability under recommended storage conditions (2-8°C in a tightly sealed container). Ideal for researchers in pharmaceuticals, agrochemicals, and advanced materials, this compound is rigorously tested for purity (typically ≥98% by GC) and consistency. Its structural features enable applications in nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for liquid crystals or OLED materials. Available in quantities from grams to kilograms with optional certificates of analysis.

Properties

• CAS Number: 1077-01-6
• Complexity: 145
• IUPAC Name: 1-fluoro-3-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H4F4O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
• InChI Key: AUKDFDQPJWJEDH-UHFFFAOYSA-N
• Exact Mass: 180.01982740
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.10
• SMILES: C1=CC(=CC(=C1)F)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 180.01982740
• Synonyms: 1-fluoro-3-(trifluoromethoxy)benzene, 675-123-1, 3-(Trifluoromethoxy)fluorobenzene, 1077-01-6, 3-(Trifluoromethoxy) fluorobenzene, 1-fluoro-3-trifluoromethoxybenzene, Benzene, 1-fluoro-3-(trifluoromethoxy)-, M-FLUOROTRIFLUOROMETHOXYBENZENE, 1-FLUORO-3- (TRIFLUOROMETHOXY)BENZENE, MFCD00236323, SCHEMBL254534, SCHEMBL407346, SCHEMBL899948, SCHEMBL900026, SCHEMBL900776, trifluoro(3-fluorophenoxy)methane, 3- Trifluoromethoxy fluorobenzene, DTXSID20380452, 1-fluoro-3-trifluoromethoxy-benzene, CS-D1690, 3-Fluorophenyl trifluoromethyl ether, BBL102194, SBB089619, STL555993, AKOS006230387, 1-fluoranyl-3-(trifluoromethyloxy)benzene, AC-26097, PS-11656, DB-023690, F0569, EN300-86272, A801744

Application

1-Fluoro-3-(trifluoromethoxy)benzene serves as a key fluorinated building block in pharmaceutical research, particularly for developing CNS-active compounds where the trifluoromethoxy group enhances blood-brain barrier penetration. In materials science, it’s utilized to synthesize advanced polymers with enhanced thermal and chemical resistance. The compound also finds use in agrochemical production as a precursor for herbicides and pesticides with improved environmental stability.

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 (95.2%): 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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (95.2%)

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