Description

3-Bromo-5-fluorobenzaldehyde (CAS No. 188813-02-7) is a high-purity aromatic aldehyde compound with the molecular formula C₇H₄BrFO. This halogenated benzaldehyde derivative features both bromine and fluorine substituents on the benzene ring, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. The compound is supplied as a crystalline solid with ≥98% purity (HPLC), ensuring optimal performance in coupling reactions, nucleophilic additions, and as a precursor for heterocyclic synthesis. Ideal for Suzuki-Miyaura cross-coupling, Vilsmeier-Haack formylation, and Grignard reactions. Packaged under inert gas to prevent oxidation and moisture sensitivity. Available in research quantities (100mg to 10g) with optional COA and NMR spectra upon request.

Properties

• CAS Number: 188813-02-7
• Complexity: 129
• IUPAC Name: 3-bromo-5-fluoro-benzaldehyde
• InChI: InChI=1S/C7H4BrFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
• InChI Key: MEFQRXHVMJPOKZ-UHFFFAOYSA-N
• Exact Mass: 201.94296
• Molecular Formula: C7H4BrFO
• Molecular Weight: 203.01
• SMILES: C1=C(C=C(C=C1F)Br)C=O
• Topological: 17.1
• Monoisotopic Mass: 201.94296
• Synonyms: 3-bromo-5-fluorobenzaldehyde, 188813-02-7, DTXSID70621206, DTXCID80571960, 801-243-2, Benzaldehyde, 3-bromo-5-fluoro-, MFCD04116319, 3-fluoro-5-bromobenzaldehyde, 3-bromo-5-fluoro-benzaldehyde, 5-Fluoro-3-bromobenzaldehyde, SCHEMBL613761, SCHEMBL27574747, MEFQRXHVMJPOKZ-UHFFFAOYSA-N, ALBB-005928, BBL104399, STK503627, AKOS005063844, AB20677, AC-2293, CS-W008160, DS-1628, PS-8176, SY003007, DB-006375, EN300-128281, Z1079442710

Application

3-Bromo-5-fluorobenzaldehyde serves as a critical building block in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly kinase inhibitors and CNS-active compounds. Its dual halogen functionality enables regioselective modifications in palladium-catalyzed cross-coupling reactions. Researchers utilize this compound to develop novel PET radiotracers due to the presence of fluorine-19. It also finds application in materials science as a precursor for liquid crystals and OLED intermediates.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (50%)
• STOT SE 3 (100%)

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