Description

2,5-Difluorobenzotrifluoride (CAS No. 393-38-4) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₃F₅ and IUPAC name 1,4-difluoro-2-(trifluoromethyl)benzene. This specialty chemical is characterized by its unique trifluoromethyl and difluoro substitution pattern, which enhances its reactivity and stability in demanding synthetic applications. It is supplied as a clear, colorless to pale yellow liquid with exceptional purity (>98%) suitable for advanced organic synthesis, pharmaceutical intermediates, and material science research. Ideal for nucleophilic aromatic substitution (S_NAr) reactions and as a building block for agrochemicals, liquid crystals, or OLED materials. Packaged under inert gas in amber glass bottles to ensure stability and shipped with detailed analytical certificates (GC/MS, NMR, HPLC).

Properties

• CAS Number: 393-38-4
• Complexity: 152
• IUPAC Name: 1,4-difluoro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3F5/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
• InChI Key: BLDOSVXRDMTZQE-UHFFFAOYSA-N
• Exact Mass: 182.01549091
• Molecular Formula: C7H3F5
• Molecular Weight: 182.09
• SMILES: C1=CC(=C(C=C1F)C(F)(F)F)F
• Monoisotopic Mass: 182.01549091
• Synonyms: 2,5-Difluorobenzotrifluoride, 393-38-4, 1,4-difluoro-2-(trifluoromethyl)benzene, DTXSID60455597, DTXCID90406416, 639-313-8, MFCD00042494, Benzene, 1,4-difluoro-2-(trifluoromethyl)-, 1,4-difluoro-2-trifluoromethyl-benzene, starbld0000405, SCHEMBL147133, SCHEMBL7265211, SCHEMBL10718924, SCHEMBL17134035, BLDOSVXRDMTZQE-UHFFFAOYSA-N, AC1273, SBB089859, AKOS005258182, AS-19912, FD105053, SY018439, D4933, EN300-301172

Application

2,5-Difluorobenzotrifluoride serves as a versatile intermediate in pharmaceutical synthesis, particularly for introducing fluorine motifs into bioactive molecules. Its electron-withdrawing trifluoromethyl group facilitates cross-coupling reactions in agrochemical development. Researchers also utilize it in the design of fluorinated liquid crystals for display technologies and as a precursor for specialty polymers with enhanced thermal/chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (25%): 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 (75%): 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 (25%)
• Flam. Liq. 3 (25%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (75%)

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