Description

3-Bromo-4-chlorobenzaldehyde (CAS No. 86265-88-5) is a high-purity halogenated benzaldehyde derivative with the molecular formula C₇H₄BrClO. This aromatic aldehyde is a versatile building block in organic synthesis, particularly in pharmaceutical, agrochemical, and materials science research. Its unique structure, featuring both bromo and chloro substituents on the benzene ring, allows for selective functionalization via cross-coupling reactions, nucleophilic substitutions, or further oxidation/reduction steps. Available in >98% purity (GC), this compound is supplied as a white to off-white crystalline powder with a characteristic aromatic odor. It is stable under recommended storage conditions (2-8°C in a tightly sealed container) but may decompose under strong light or heat. Suitable for use in Suzuki-Miyaura couplings, Grignard reactions, and as a precursor for heterocyclic compounds.

Properties

• CAS Number: 86265-88-5
• Complexity: 129
• IUPAC Name: 3-bromo-4-chloro-benzaldehyde
• InChI: InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
• InChI Key: AKDABJGHOOCVKX-UHFFFAOYSA-N
• Exact Mass: 217.91341
• Molecular Formula: C7H4BrClO
• Molecular Weight: 219.46
• SMILES: C1=CC(=C(C=C1C=O)Br)Cl
• Topological: 17.1
• Monoisotopic Mass: 217.91341
• Synonyms: 3-Bromo-4-chlorobenzaldehyde, 86265-88-5, DTXSID20555082, DTXCID20505865, 855-332-6, 3-Bromo-4-Chloro-Benzaldehyde, MFCD08059100, Benzaldehyde, 3-bromo-4-chloro-, 4-chloro-3-bromobenzaldehyde, SCHEMBL671268, AKDABJGHOOCVKX-UHFFFAOYSA-N, AKOS015834635, CS-W005074, AS-18887, SY014684, AC-169414, DB-028387, EN300-119276, Z1269163997

Application

3-Bromo-4-chlorobenzaldehyde serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to create biaryl structures common in drug discovery. In material science, it functions as a precursor for liquid crystals and organic electronic materials. The aldehyde group provides an attachment point for further derivatization through condensation or reduction reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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