Description

1-Bromo-2,4-difluoro-5-methylbenzene (CAS No. 159277-47-1) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅BrF₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical intermediates, and material science research due to its unique reactivity profile. The compound features a bromine atom and two fluorine substituents on a methylbenzene ring, enabling selective functionalization in cross-coupling reactions and nucleophilic substitutions. With a molecular weight of 207.02 g/mol, it is supplied as a clear to pale yellow liquid under standard conditions. Our product undergoes rigorous QC testing including GC/HPLC analysis to ensure ≥98% purity, making it ideal for demanding applications in medicinal chemistry and advanced material development. Proper storage at 2-8°C in amber vials under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 159277-47-1
• Complexity: 118
• IUPAC Name: 1-bromo-2,4-difluoro-5-methyl-benzene
• InChI: InChI=1S/C7H5BrF2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,1H3
• InChI Key: WOCZKGUFVNUBEC-UHFFFAOYSA-N
• Exact Mass: 205.95427
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.01
• SMILES: CC1=CC(=C(C=C1F)F)Br
• Monoisotopic Mass: 205.95427
• Synonyms: 1-Bromo-2,4-difluoro-5-methylbenzene, 159277-47-1, DTXSID70435305, DTXCID20386131, 5-Bromo-2,4-difluorotoluene, Benzene, 1-bromo-2,4-difluoro-5-methyl-, 1-bromo-2,4-difluoro-5-methyl-benzene, MFCD15144620, SCHEMBL375373, SCHEMBL17023443, WOCZKGUFVNUBEC-UHFFFAOYSA-N, JGA27747, AKOS015888932, 2,4-DIFLUORO-5-BROMO TOLUENE, CS-W008131, 159227-47-1, DS-14283, SY096760, EN300-116314, A883312, Z1269171607

This compound serves as a versatile building block in pharmaceutical synthesis, particularly for creating fluorinated drug candidates. Researchers employ it in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to construct complex aromatic systems. The electron-withdrawing fluorine atoms make it valuable for developing materials with enhanced thermal and chemical stability. In agrochemical research, it’s used to synthesize novel pesticides with improved environmental profiles.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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.