Description

1-Bromo-3-(difluoromethyl)-5-fluorobenzene (CAS No. 627526-90-3) is a high-purity halogenated aromatic compound with the molecular formula C₇H₄BrF₃. This specialized chemical features a benzene ring substituted with bromine, fluorine, and a difluoromethyl group, offering unique reactivity for advanced synthetic applications. Ideal for pharmaceutical intermediates, agrochemical research, and material science, this compound is rigorously tested to meet the highest standards of purity and consistency. Each batch is supplied with comprehensive analytical data including GC/MS, NMR, and HPLC to ensure reproducibility in your research. Available in quantities from milligrams to kilograms, packaged under inert conditions for optimal stability.

Properties

• CAS Number: 627526-90-3
• Complexity: 129
• IUPAC Name: 1-bromo-3-(difluoromethyl)-5-fluoro-benzene
• InChI: InChI=1S/C7H4BrF3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H
• InChI Key: OPTDWHOFDCKSSE-UHFFFAOYSA-N
• Exact Mass: 223.94485
• Molecular Formula: C7H4BrF3
• Molecular Weight: 225.01
• SMILES: C1=C(C=C(C=C1F)Br)C(F)F
• Monoisotopic Mass: 223.94485
• Synonyms: 1-Bromo-3-(difluoromethyl)-5-fluorobenzene, 627526-90-3, DTXSID70623720, DTXCID60574474, 994-809-4, 1-Bromo-3-difluoromethyl-5-fluorobenzene, 3-Bromo-5-fluorodifluoromethylbenzene, MFCD09261145, SCHEMBL1194575, SCHEMBL7026050, AKOS016004060, SB85743, AS-33068, SY022867, 3-fluoro-5-difluoromethyl-1-bromo-benzene, CS-0060190, 1-bromo-3-(difluoromethyl)-5-fluoro-benzene, EN300-382826, A1-37575

Application

1-Bromo-3-(difluoromethyl)-5-fluorobenzene serves as a versatile building block in organic synthesis, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Its unique substitution pattern enables selective cross-coupling reactions, nucleophilic substitutions, and other transformations critical for drug discovery. Researchers utilize this compound to introduce difluoromethyl and halogen functionalities into complex molecules, enhancing metabolic stability and bioavailability. It is also employed in material science for the synthesis of advanced fluorinated polymers and liquid crystals.

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%)

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