Description

4-Bromo-2-fluorobenzonitrile (CAS No. 105942-08-3) is a high-purity aromatic nitrile compound with the molecular formula C₇H₃BrFN. This versatile intermediate is widely used in pharmaceutical synthesis, agrochemical development, and advanced material research due to its reactive bromo and fluoro substituents. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with low levels of heavy metals and residual solvents. Supplied as a white to off-white crystalline powder, it is packaged under inert gas to maintain stability and shelf life. Ideal for Suzuki couplings, nucleophilic substitutions, and other cross-coupling reactions requiring selective halogen reactivity. Technical data sheets with detailed NMR, FTIR, and mass spectrometry characterization are available upon request.

Properties

• CAS Number: 105942-08-3
• Complexity: 162
• IUPAC Name: 4-bromo-2-fluoro-benzonitrile
• InChI: InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
• InChI Key: HGXWRDPQFZKOLZ-UHFFFAOYSA-N
• Exact Mass: 198.94329
• Molecular Formula: C7H3BrFN
• Molecular Weight: 200.01
• SMILES: C1=CC(=C(C=C1Br)F)C#N
• Topological: 23.8
• Monoisotopic Mass: 198.94329
• Synonyms: 4-Bromo-2-fluorobenzonitrile, 105942-08-3, HGXWRDPQFZKOLZ-UHFFFAOYSA-, DTXSID60352911, DTXCID30303975, 600-701-7, hgxwrdpqfzkolz-uhfffaoysa-n, inchi=1/c7h3brfn/c8-6-2-1-5(4-10)7(9)3-6/h1-3h, 2-fluoro-4-bromobenzonitrile, MFCD00143264, 4-bromo-2-fluorobenzenecarbonitrile, 4-Bromo-2-fluoro-benzonitrile, BENZONITRILE, 4-BROMO-2-FLUORO-, 2-floro-4-bromobenzonitrile, 4-bromo-2-fluorobenzontrile, SCHEMBL56634, 4-bromo-6-fluorobenzonitrile, 4-Bromo-2-fluoro-bezonitrile, 4-cyano-3-fluoro-bromobenzene, 4-cyano-3-fluorophenyl bromide, 1-bromo-4-cyano-3-fluoro-benzene, BCP24580, 4-Bromo-2-fluorobenzonitrile, 98%, SBB059573, STK802613, AKOS005259869, AB03862, AC-1872, CS-W007363, PS-8221, BP-21349, SY001515, DB-005332, B2745, NS00121908, ST50319386, EN300-96828, AA-516/30054037, Z57900351, F0001-4016

4-Bromo-2-fluorobenzonitrile serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly in kinase inhibitors and CNS-targeting compounds. Its electron-withdrawing groups enable efficient palladium-catalyzed cross-coupling reactions for drug discovery pipelines. The compound is also employed in liquid crystal material development and as a precursor for fluorinated OLED materials. Researchers value its stability and predictable reactivity in multi-step synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (90.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (90.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (90.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (88.7%): 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 (98.1%)
• Acute Tox. 4 (90.6%)
• Skin Irrit. 2 (90.6%)
• Eye Irrit. 2 (90.6%)
• Acute Tox. 4 (90.6%)
• STOT SE 3 (88.7%)

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.