Description

3-Bromo-4-fluorobenzonitrile (CAS No. 79630-23-2) is a high-purity halogenated aromatic nitrile compound with the molecular formula C₇H₃BrFN. This organobromine derivative is characterized by its bromo and fluoro substituents on the benzene ring, along with a nitrile functional group, making it a versatile intermediate in synthetic organic chemistry. With a molecular weight of 200.01 g/mol, it is commonly employed in pharmaceutical, agrochemical, and materials science research. The compound is supplied as a crystalline solid with >98% purity (HPLC), ensuring optimal performance in coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic synthesis. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 79630-23-2
• Complexity: 162
• IUPAC Name: 3-bromo-4-fluoro-benzonitrile
• InChI: InChI=1S/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
• InChI Key: JKCYKISVUIVZCS-UHFFFAOYSA-N
• Exact Mass: 198.94329
• Molecular Formula: C7H3BrFN
• Molecular Weight: 200.01
• SMILES: C1=CC(=C(C=C1C#N)Br)F
• Topological: 23.8
• Monoisotopic Mass: 198.94329
• Synonyms: 3-Bromo-4-fluorobenzonitrile, 79630-23-2, EINECS 279-200-7, JKCYKISVUIVZCS-UHFFFAOYSA-, DTXSID00229815, DTXCID50152306, 279-200-7, inchi=1/c7h3brfn/c8-6-3-5(4-10)1-2-7(6)9/h1-3h, jkcykisvuivzcs-uhfffaoysa-n, 4-FLUORO-3-BROMOBENZONITRILE, Benzonitrile, 3-bromo-4-fluoro-, 3-bromo-4-fluorobenzenecarbonitrile, MFCD00055432, 3-bromo-4-fluoro-benzonitrile, 3-Bromo-4-flurobenzonitrile, 3-bromo,4-fluorobenzonitrile, SCHEMBL283614, 4-Cyano-1-fluoro-2-bromobenzene, 3-Bromo-4-fluorobenzonitrile, 97%, BBL100266, SBB058410, STL553832, AKOS005255011, Benzonitrile, 3-?bromo-?4-?fluoro-, AC-2775, PS-8222, FB105316, DB-008288, B1965, CS-0007567, NS00062302, ST50319388, EN300-120876, Z57900354

Application

3-Bromo-4-fluorobenzonitrile serves as a key building block in Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions for pharmaceutical intermediates. It is utilized in the synthesis of fluorinated liquid crystals and agrochemical active ingredients. Researchers also employ it as a precursor for functionalized benzimidazoles and other nitrogen-containing heterocycles.

Safety and Hazards

GHS Hazard Statements

• H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (96%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (96%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (96%): 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 (96%)
• Acute Tox. 4 (96%)
• Skin Irrit. 2 (98%)
• Eye Irrit. 2 (98%)
• Acute Tox. 4 (96%)
• STOT SE 3 (96%)

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.