Description

2-Bromo-5-fluorobenzonitrile (CAS No. 57381-39-2) is a high-purity halogenated benzonitrile derivative, widely utilized in pharmaceutical and agrochemical research as a key intermediate for synthesizing complex organic molecules. With the molecular formula C₇H₃BrFN, this compound features a bromo and fluoro substitution on the benzene ring, enhancing its reactivity in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig amination. Its nitrile group further expands its utility in cyclization and functional group transformations. Packaged under stringent quality control, this product is ideal for researchers requiring precise and reliable building blocks for drug discovery, material science, and specialty chemical applications. Available in various quantities with certificates of analysis (CoA) to ensure consistency and performance.

Properties

• CAS Number: 57381-39-2
• Complexity: 162
• IUPAC Name: 2-bromo-5-fluoro-benzonitrile
• InChI: InChI=1S/C7H3BrFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
• InChI Key: MDHNVHCZDCSTMS-UHFFFAOYSA-N
• Exact Mass: 198.94329
• Molecular Formula: C7H3BrFN
• Molecular Weight: 200.01
• SMILES: C1=CC(=C(C=C1F)C#N)Br
• Topological: 23.8
• Monoisotopic Mass: 198.94329
• Synonyms: 2-Bromo-5-fluorobenzonitrile, 57381-39-2, EINECS 260-711-9, DTXSID20205974, DTXCID50128465, 260-711-9, 2-bromo-5-fluorobenzenecarbonitrile, 2-bromo-5-fluoro-benzonitrile, Benzonitrile, 2-bromo-5-fluoro-, MFCD00142875, SCHEMBL185550, 2-Bromo-5-fluorobenzonitrile, 95%, SBB063655, AKOS005255013, AC-4029, CS-W008055, FB64114, PS-8219, DB-025182, B3010, NS00054060, ST50408659, EN300-59978, Z926909722

2-Bromo-5-fluorobenzonitrile serves as a versatile precursor in medicinal chemistry for the development of kinase inhibitors and bioactive heterocycles. It is employed in palladium-catalyzed cross-coupling reactions to introduce fluorinated aryl motifs into target molecules. Researchers also utilize it in the synthesis of liquid crystals and advanced materials due to its stable aromatic core and halogen reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (14.6%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.9%)
• Acute Tox. 4 (97.9%)
• Skin Irrit. 2 (16.7%)
• Eye Irrit. 2A (16.7%)
• Acute Tox. 4 (97.9%)
• STOT SE 3 (14.6%)

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