2-bromo-1-fluoro-4-(trifluoromethyl)benzene, CAS No. 68322-84-9

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68322-84-9

Catalog No. EBD376342

CAS 68322-84-9

Name 2-bromo-1-fluoro-4-(trifluoromethyl)benzene

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Basic Information

Synonyms: 3-bromo-±,±,±,4-tetrafluoro-toluene 2-bromo-1-fluoro-4-(trifluoromethyl)benzene 3-bromo-4-fluorobenzotrifluoride 2-bromo-1-fluoro-4-(trifluormethyl)benzene 3-bromo-4-fluoro-benzotrifluoride 3-bromo-4-fluoro-1-trifluoromethylbenzene 2-Fluoro-5-(trifluoromethyl)bromobenzene 3-bromo-4-trifluorotoluene 3-bromo-4-fluorobenzotrifluori 4-fluoro-3-bromobenzotrifluoride 1-fluoro-2-bromo-4-(trifluoromethyl)benzene 3-bromo-alpha,alpha,alpha,4-tetrafluorotoluene

Molecular Formula: C7H3BrF4

Molecular Weight: 243.0

MDL Number: MFCD00040938

Categories: Materials Chemistry > Optoelectronic and Organic Semiconductor Materials > OLED and Organic Optoelectronic Precursors Synthetic Chemistry > Organic Building Blocks > Halogenated Compounds

Product Description:

3-Bromo-4-fluorobenzotrifluoride is an aromatic compound featuring a trifluoromethyl group and two halogen substituents (bromo and fluoro) on the benzene ring. This specific substitution pattern makes it a valuable and versatile building block in advanced material synthesis. Its primary and most significant application is in the field of organic electronics and optoelectronics. It serves as a key precursor for the synthesis of various high-performance materials, including organic light-emitting diodes (OLEDs), organic photovoltaics (OPVs), and liquid crystal displays (LCDs). The electron-withdrawing trifluoromethyl and halogen groups are crucial for tuning the electronic properties, such as the HOMO/LUMO energy levels, charge carrier mobility, and thermal stability of the resulting polymers or small molecules. It is extensively used to construct electron-deficient units in donor-acceptor type conjugated polymers and as a core fragment for emissive or charge-transporting materials. Due to its reactive bromo and fluoro sites, which allow for selective cross-coupling reactions (e.g., Suzuki, Stille, Buchwald-Hartwig), it is also a highly useful intermediate in general organic synthesis and pharmaceutical chemistry for introducing the benzotrifluoride moiety, which is known to enhance metabolic stability and lipophilicity.

Physical Properties

Boiling Point: 148-149 °C(lit.)

Flash Point: 71 °C

Density: 1.706 g/mL at 25 °C(lit.)

Refractivity: n20/D 1.459(lit.)

Safety Information

Packing Level: III

Hazard Category: /

Transport Codes: 1993

Analytical Data

Appearance: clear colorless liquid