Description

α,α,α,3-Tetrafluorotoluene (CAS No. 401-80-9) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₄F₄. This specialty chemical is widely used in pharmaceutical synthesis, agrochemical manufacturing, and advanced material research due to its unique reactivity and stability. Its trifluoromethyl and fluorine substituents make it an excellent building block for introducing fluorinated moieties into target molecules. The product is supplied as a clear, colorless liquid with a boiling point of ~116°C and a density of ~1.3 g/cm³. Suitable for nucleophilic aromatic substitution reactions and as a precursor for liquid crystal materials, our α,α,α,3-Tetrafluorotoluene meets stringent quality standards with ≥99% purity (GC analysis). Proper storage in amber glass under inert atmosphere is recommended to maintain product integrity.

Properties

• CAS Number: 401-80-9
• Complexity: 129
• IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H4F4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
• InChI Key: GBOWGKOVMBDPJF-UHFFFAOYSA-N
• Exact Mass: 164.02491278
• Molecular Formula: C7H4F4
• Molecular Weight: 164.10
• SMILES: C1=CC(=CC(=C1)F)C(F)(F)F
• Monoisotopic Mass: 164.02491278
• Synonyms: 3-Fluorobenzotrifluoride, 401-80-9, alpha,alpha,alpha,3-Tetrafluorotoluene, Trifluoromethyl-3-fluorobenzene, EINECS 206-933-1, 1-Fluoro-3-(trifluoro-methyl)benzene, 3-Fluoro(trifluoromethyl)benzene, DTXSID20193140, NSC 10315, m,alpha,alpha,alpha-Tetrafluorotoluene, .alpha.,.alpha.,.alpha.,3-Tetrafluorotoluene, m,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, .alpha.,.alpha.,.alpha.-m-tetrafluoro-, Toluene, m,.alpha.,.alpha.,.alpha.-tetrafluoro-, DTXCID30115631, Toluene, alpha,alpha,alpha-m-tetrafluoro-, Toluene, m,alpha,alpha,alpha-tetrafluoro-, 206-933-1, gbowgkovmbdpjf-uhfffaoysa-n, inchi=1/c7h4f4/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4, 1-Fluoro-3-(trifluoromethyl)benzene, m-Fluorobenzotrifluoride, Benzene, 1-fluoro-3-(trifluoromethyl)-, MFCD00000382, 1-(Trifluoromethyl)-3-fluorobenzene, 3-fluoro-1-(trifluoromethyl)benzene, A,A,A,3-TETRAFLUOROTOLUENE, NSC10315, m-Fluor-benzotrifluorid, 3-fluorobenzo trifluoride, 5-fluoro benzotrifluoride, SCHEMBL27573, SCHEMBL146433, SCHEMBL148397, SCHEMBL168760, SCHEMBL262756, 3-fluoro-trifluoromethylbenzene, 3-trifluoromethyl fluorobenzene, 3-Fluorobenzotrifluoride, 99%, NSC-10315, SBB087759, m,.alpha.,.alpha.-Tetrafluorotoluene, AKOS005063757, CS-W017914, Toluene,.alpha.,.alpha.-m-tetrafluoro-, AC-11403, PS-11774, F0390, NS00043689, ST50406529, EN300-97670, E76527, 1-Fluoro-3-(trifluoro-methyl)benzene; alpha,alpha,alpha,3-Tetrafluorotoluene

α,α,α,3-Tetrafluorotoluene serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. It’s particularly valuable in creating liquid crystal materials for display technologies due to its stable aromatic core and fluorine substitution pattern. The compound finds use in organic synthesis as a building block for introducing both trifluoromethyl and fluorine groups in meta-position. Researchers also employ it in material science for developing advanced fluoropolymers with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H225 (96.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98.1%): 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 (96.2%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98.1%)

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