Description

3-Bromo-4-fluorobenzaldehyde (CAS No. 77771-02-9) is a high-purity aromatic aldehyde compound with the molecular formula C₇H₄BrFO. This halogenated benzaldehyde derivative features both bromo and fluoro substituents on the benzene ring, making it a versatile intermediate for pharmaceutical synthesis, agrochemical development, and advanced material research. The compound is supplied as a crystalline solid with ≥98% purity (GC), ensuring optimal performance in coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic scaffolds. Store under inert conditions at 2-8°C to maintain stability. Available in research (1g, 5g, 25g) and bulk quantities with optional NMR, HPLC, and MSDS documentation.

Properties

• CAS Number: 77771-02-9
• Complexity: 129
• IUPAC Name: 3-bromo-4-fluoro-benzaldehyde
• InChI: InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
• InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N
• Exact Mass: 201.94296
• Molecular Formula: C7H4BrFO
• Molecular Weight: 203.01
• SMILES: C1=CC(=C(C=C1C=O)Br)F
• Topological: 17.1
• Monoisotopic Mass: 201.94296
• Synonyms: 3-Bromo-4-fluorobenzaldehyde, 77771-02-9, 4-Fluoro-3-bromobenzaldehyde, Benzaldehyde, 3-bromo-4-fluoro-, DTXSID6044989, EINECS 278-764-1, DTXCID4024989, O61072992O, 278-764-1, MFCD00042186, 3-Bromo-fluorobenzyldehyde, 3-bromo-4-fluoro-benzaldehyde, UNII-O61072992O, 3-bromo4fluorobenzaldehyde, 3-Bromo-4fluorobenzaldehyde, 3-bromo4-fluorobenzaldehyde, 3bromo-4-fluorobenzaldehyde, 5-bromo-4-fluorobezaldehyde, 3bromo-4-fluoro-benzaldehyde, 5-bromo-4-fluorobenzaldehyde, 3-bromo-4-fluoro-benzaldhyde, SCHEMBL154905, 3-bromo-4-flouro-benzaldehyde, 3-bromo-4-fluoro benzaldehyde, 4-Fluoro-3-bromo-benzaldehyde, CHEMBL3183572, SCHEMBL10886727, ALBB-004277, CS-B1308, Tox21_301633, 3-Bromo-4-fluorobenzaldehyde, 98%, SBB058416, STK503062, AKOS000121476, AC-2501, DS-1470, PS-8174, NCGC00256205-01, SY001679, CAS-77771-02-9, DB-024247, B2143, NS00058571, ST50306899, EN300-21085, Q27285381, F2190-0591, Z104489526, InChI=1/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4

Application

3-Bromo-4-fluorobenzaldehyde serves as a critical building block in Suzuki-Miyaura cross-coupling reactions for biaryl synthesis. It is extensively used in the preparation of fluorinated liquid crystals and OLED materials due to its electron-withdrawing properties. The compound also finds application in developing kinase inhibitors and antimicrobial agents through Schiff base formation.

Safety and Hazards

GHS Hazard Statements

• H302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (94%): 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 (84%)
• Skin Irrit. 2 (98%)
• Eye Irrit. 2 (98%)
• STOT SE 3 (94%)

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