Description

4-Bromo-2-fluorobenzotrifluoride (CAS No. 142808-15-9) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₄. This specialty chemical, also known by its IUPAC name 4-bromo-2-fluoro-1-(trifluoromethyl)benzene, features a benzene ring substituted with bromine, fluorine, and a trifluoromethyl group, making it a versatile building block for advanced organic synthesis. With a molecular weight of 243.00 g/mol, this compound is particularly valuable in pharmaceutical intermediates, agrochemical research, and materials science applications. Its unique electronic properties derived from the combination of halogen and trifluoromethyl substituents make it ideal for cross-coupling reactions, nucleophilic substitutions, and as a precursor for liquid crystal materials. Supplied as a clear, colorless to pale yellow liquid with >97% purity (GC), it is packaged under inert gas to ensure stability and longevity.

Properties

• CAS Number: 142808-15-9
• Complexity: 156
• IUPAC Name: 4-bromo-2-fluoro-1-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
• InChI Key: OEPBVXQEVBURGC-UHFFFAOYSA-N
• Exact Mass: 241.93543
• Molecular Formula: C7H3BrF4
• Molecular Weight: 243.00
• SMILES: C1=CC(=C(C=C1Br)F)C(F)(F)F
• Monoisotopic Mass: 241.93543
• Synonyms: 4-Bromo-2-fluorobenzotrifluoride, 142808-15-9, DTXSID30382346, DTXCID10333371, 642-564-6, 4-bromo-2-fluoro-1-(trifluoromethyl)benzene, MFCD01075254, 2-fluoro-4-bromobenzotrifluoride, 1-bromo-3-fluoro-4-(trifluoromethyl)benzene, benzene, 4-bromo-2-fluoro-1-(trifluoromethyl)-, 4-Bromo-alpha,alpha,alpha,2-tetrafluorotoluene, 4-bromo-2-fluoro-1-trifluoromethyl-benzene, SCHEMBL56867, OEPBVXQEVBURGC-UHFFFAOYSA-, 4-bromo-2-fluoro-benzotrifluoride, BCP14021, CK2380, SBB099654, AKOS005254303, AB08142, AS-13457, SY020748, 4-bromo-2-fluoro-1-trifluoromethylbenzene, B2946, CS-0020048, 4-Bromo-2-fluorobenzotrifluoride, AldrichCPR, EN300-67237, InChI=1/C7H3BrF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

Application

4-Bromo-2-fluorobenzotrifluoride serves as a critical intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated drug candidates. Its reactive bromo and fluoro substituents enable efficient Suzuki-Miyaura and Buchwald-Hartwig couplings in medicinal chemistry. The compound is also employed in agrochemical research for developing novel pesticides and herbicides with enhanced bioavailability. Additionally, its trifluoromethyl group contributes to the creation of advanced materials with unique dielectric properties.

Safety and Hazards

GHS Hazard Statements

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501

Hazard Classes and Categories

• Eye Irrit. 2A (100%)
• Aquatic Chronic 2 (92.9%)

If you are interested or have any questions, please contact us at support@atomfair.com

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