Description

4-Bromo-2-chlorobenzonitrile (CAS No. 154607-01-9) is a high-purity halogenated benzonitrile derivative with the molecular formula C₇H₃BrClN. This aromatic nitrile compound is a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both bromo and chloro substituents on the benzene ring, makes it a valuable precursor for cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig reactions. The compound is supplied as a crystalline solid with ≥98% purity (HPLC), ensuring consistency in research applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. Suitable for use under inert conditions due to sensitivity to moisture and air. Handle with appropriate personal protective equipment (PPE) in a fume hood.

Properties

• CAS Number: 154607-01-9
• Complexity: 162
• IUPAC Name: 4-bromo-2-chloro-benzonitrile
• InChI: InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
• InChI Key: AYQBMZNSJPVADT-UHFFFAOYSA-N
• Exact Mass: 214.91374
• Molecular Formula: C7H3BrClN
• Molecular Weight: 216.46
• SMILES: C1=CC(=C(C=C1Br)Cl)C#N
• Topological: 23.8
• Monoisotopic Mass: 214.91374
• Synonyms: 4-Bromo-2-chlorobenzonitrile, 154607-01-9, DTXSID10426651, EC 679-039-6, DTXCID40377485, 679-039-6, ayqbmznsjpvadt-uhfffaoysa-n, 2-Chloro-4-bromobenzonitrile, Benzonitrile, 4-bromo-2-chloro-, MFCD00040883, 4-bromo-2-chlorobenzenecarbonitrile, 4-Bromo-2-chloro-benzonitrile, E4RU59Z8YM, SCHEMBL267151, SBB065200, TD1119, AKOS005259726, CS-W002192, FB45872, 4-bromo-2-chlorobenzonitrile, AldrichCPR, AC-26118, AS-18889, SY009401, B4241, NS00002111, ST50408767, EN300-78452

Application

4-Bromo-2-chlorobenzonitrile serves as a key building block in medicinal chemistry for the synthesis of biologically active molecules. It is particularly useful in the development of pharmaceutical candidates through palladium-catalyzed coupling reactions. Researchers utilize this compound to create novel heterocyclic systems in drug discovery programs. The bromo and chloro substituents allow for sequential functionalization, enabling structure-activity relationship (SAR) studies.

Safety and Hazards

GHS Hazard Statements

• H301 (15.4%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (61.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (53.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (15.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (69.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (69.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (53.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (23.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (23.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (15.4%)
• Acute Tox. 4 (61.5%)
• Acute Tox. 3 (53.8%)
• Acute Tox. 4 (15.4%)
• Skin Irrit. 2 (69.2%)
• Eye Irrit. 2A (69.2%)
• Acute Tox. 3 (15.4%)
• Acute Tox. 4 (53.8%)
• STOT SE 3 (23.1%)
• Aquatic Chronic 2 (23.1%)

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