Description

3-Bromo-5-(trifluoromethyl)benzaldehyde (CAS No. 477535-41-4) is a high-purity aromatic aldehyde featuring both bromo and trifluoromethyl functional groups, making it a versatile building block for advanced organic synthesis. This compound, with the molecular formula C₈H₄BrF₃O, is a valuable intermediate in pharmaceutical, agrochemical, and materials science research. Its unique structure enables selective modifications, particularly in cross-coupling reactions and nucleophilic substitutions. Supplied as a crystalline solid with >95% purity (HPLC), it is rigorously tested for consistency and stability. Ideal for use in Suzuki-Miyaura couplings, Grignard reactions, and as a precursor for heterocyclic compounds. Packaged under inert gas to ensure longevity and stored in amber vials to prevent degradation.

Properties

• CAS Number: 477535-41-4
• Complexity: 192
• IUPAC Name: 3-bromo-5-(trifluoromethyl)benzaldehyde
• InChI: InChI=1S/C8H4BrF3O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
• InChI Key: PCRLZGCXLNNMFL-UHFFFAOYSA-N
• Exact Mass: 251.93976
• Molecular Formula: C8H4BrF3O
• Molecular Weight: 253.02
• SMILES: C1=C(C=C(C=C1C(F)(F)F)Br)C=O
• Topological: 17.1
• Monoisotopic Mass: 251.93976
• Synonyms: 3-Bromo-5-(trifluoromethyl)benzaldehyde, 477535-41-4, DTXSID40583029, DTXCID70533794, 639-309-6, 3-BROMO-5-TRIFLUOROMETHYLBENZALDEHYDE, MFCD08059506, 3-Bromo-5-Trifluoromethyl benzaldehyde, Benzaldehyde, 3-bromo-5-(trifluoromethyl)-, SCHEMBL344606, CL8310, SBB101195, AKOS005257827, 3-Bromo-5-trifluoromethyl-benzaldehyde, AB43122, CS-W010196, PS-7448, 5-bromo-3-(trifluoromethyl)benzaldehyde, BP-13122, SY021846, DB-011156, B4974, EN300-119269

Application

3-Bromo-5-(trifluoromethyl)benzaldehyde is widely employed in medicinal chemistry for the synthesis of bioactive molecules, particularly those targeting CNS disorders and inflammation. Its trifluoromethyl group enhances metabolic stability in drug candidates, while the bromo substituent facilitates palladium-catalyzed cross-couplings. Researchers also utilize it in material science to develop liquid crystals and OLED intermediates. The compound’s reactivity with amines and hydrazines makes it valuable for constructing Schiff bases and heterocycles like indoles and quinolines.

Safety and Hazards

GHS Hazard Statements

• H302 (11.1%): 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]
• H332 (22.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (88.9%): 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 (11.1%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (22.2%)
• STOT SE 3 (88.9%)

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