Description

1-Bromo-4-(difluoromethyl)benzene (CAS No. 51776-71-7) is a high-purity aromatic compound with the molecular formula C₇H₅BrF₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique difluoromethyl and bromo functional groups. The compound exhibits excellent reactivity in cross-coupling reactions, nucleophilic substitutions, and as a building block for advanced fluorinated materials. Our product is rigorously tested to ensure >98% purity (GC), with stringent quality control for moisture, heavy metals, and other impurities. Supplied in amber glass bottles under inert gas to ensure stability, it is ideal for sensitive applications in medicinal chemistry and agrochemical development. Suitable for researchers requiring precise fluorinated intermediates.

Properties

• CAS Number: 51776-71-7
• Complexity: 97.8
• IUPAC Name: 1-bromo-4-(difluoromethyl)benzene
• InChI: InChI=1S/C7H5BrF2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H
• InChI Key: HUSPSWKWFREKSS-UHFFFAOYSA-N
• Exact Mass: 205.95427
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.01
• SMILES: C1=CC(=CC=C1C(F)F)Br
• Monoisotopic Mass: 205.95427
• Synonyms: 1-bromo-4-(difluoromethyl)benzene, 51776-71-7, DTXSID00375609, DTXCID60326637, 813-573-4, 1-Bromo-4-difluoromethylbenzene, MFCD06657964, 1-Bromo-4-difluoromethyl-benzene, 1-Bromo-4-difluoromethylbenzene stabilized over potassium carbonate, Benzene, 1-bromo-4-(difluoromethyl)-, SCHEMBL249690, SCHEMBL1067623, SCHEMBL1067683, CHEMBL4446968, SCHEMBL17996542, 1-Bromo-4-difluoromethyl benzene, p-bromo-alpha,alpha-difluorotoluene, BBL101059, STL554853, 1-bromo-4-(difluoro-methyl)-benzene, AKOS005063348, AB91725, 1-Bromo-4-(difluoromethyl)benzene, 97%, AS-33066, SY041190, CS-0068749, EN300-106997

Application

1-Bromo-4-(difluoromethyl)benzene serves as a versatile intermediate in pharmaceutical synthesis, particularly for introducing difluoromethyl groups into bioactive molecules. It is employed in Suzuki-Miyaura cross-coupling reactions to create fluorinated biphenyl derivatives for drug discovery. The compound also finds use in agrochemical research for developing herbicidal and pesticidal agents with enhanced metabolic stability. Additionally, it acts as a precursor for liquid crystal materials and specialty polymers requiring fluorine incorporation.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• 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.