Description

1,3-Bis(trifluoromethyl)benzene (CAS No. 402-31-3) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₄F₆. This specialized chemical features two trifluoromethyl groups in the meta position of the benzene ring, imparting unique electronic and steric properties ideal for advanced research applications. Its exceptional thermal and chemical stability, combined with low polarizability, makes it a valuable intermediate in organofluorine chemistry, catalysis, and materials science. Available in rigorously controlled batches (≥98% purity by GC), this product is packaged under inert gas to ensure integrity. Suitable for use as a solvent, ligand modifier, or precursor in pharmaceutical, agrochemical, and electronic material synthesis. MSDS and analytical certificates provided with every order.

Properties

• CAS Number: 402-31-3
• Complexity: 171
• IUPAC Name: 1,3-bis(trifluoromethyl)benzene
• InChI: InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
• InChI Key: SJBBXFLOLUTGCW-UHFFFAOYSA-N
• Exact Mass: 214.02171910
• Molecular Formula: C8H4F6
• Molecular Weight: 214.11
• SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
• Monoisotopic Mass: 214.02171910
• Synonyms: 1,3-Bis(trifluoromethyl)benzene, 402-31-3, Benzene, 1,3-bis(trifluoromethyl)-, m-Bis(trifluoromethyl)benzene, alpha,alpha,alpha,alpha’,alpha’,alpha’-Hexafluoro-m-xylene, NSC 10342, EINECS 206-939-4, AI3-52239, 3,5-bis(trifluoromethyl)benzene, DTXSID1059949, EC 206-939-4, m-Xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-, DTXCID4039730, m-Xylene, alpha,alpha,alpha,alpha’,alpha’,alpha’-hexafluoro-(8CI), inchi=1/c8h4f6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4, 1,3-Bis(trifluoromethyl)-benzene, Hexafluoro-m-xylene, alpha,alpha,alpha,beta,beta,beta-Hexafluoro-m-xylene, F7TWF66P6X, NSC-10342, 1,3-di(Trifluoromethyl)benzene, m-Xylene, .alpha.,.alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-hexafluoro-, NSC10342, MFCD00000392, UNII-F7TWF66P6X, SCHEMBL62723, 1,3-bistrifluoromethylbenzene, SCHEMBL102848, SCHEMBL149760, SCHEMBL262125, SCHEMBL6054043, SCHEMBL9902311, SCHEMBL9902343, 2,6-bis(trifluoromethyl)benzene, Benzene,3-bis(trifluoromethyl)-, 1,3-bis(trifluoro-methyl)benzene, 1,3-bis-(trifluoromethyl)-benzene, SBB094914, AKOS009031433, CS-W021277, 1,3-Bis(trifluoromethyl)benzene, 99%, AC-10618, DB-023996, H0585, NS00006531, ST50827080, EN300-19931, Z104476126, .alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-Hexafluoro-m-xylene, m-Xylene,.alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-hexafluoro-, .alpha.,.alpha.,.alpha.,.alpha.’,.alpha.’,.alpha.’-Hexafluoro-m-xylene

Application

1,3-Bis(trifluoromethyl)benzene serves as a key building block for synthesizing fluorinated liquid crystals and dielectric materials in display technologies. Its electron-withdrawing properties facilitate palladium-catalyzed cross-coupling reactions in pharmaceutical intermediate production. The compound is also employed as a specialty solvent for supercritical fluid applications and as a precursor for corrosion-resistant polymer coatings.

Safety and Hazards

GHS Hazard Statements

• H226 (94.2%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (73.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (94.2%)
• Skin Irrit. 2 (94.2%)
• Eye Irrit. 2 (94.2%)
• STOT SE 3 (73.1%)
• Aquatic Chronic 2 (25%)

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