Description

4-Bromo-2,3-difluoroanisole (CAS No. 406482-22-2) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅BrF₂O. This specialty chemical, also known by its IUPAC name 1-bromo-2,3-difluoro-4-methoxybenzene, is a valuable building block in pharmaceutical and agrochemical synthesis. The compound features a bromine substituent at the 4-position and fluorine atoms at the 2- and 3-positions of a methoxybenzene ring, offering unique reactivity for cross-coupling reactions and nucleophilic substitutions.

Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied as a clear, colorless to pale yellow liquid with excellent batch-to-batch consistency. Proper storage recommendations include protection from light at 2-8°C under inert atmosphere. The compound is particularly useful for researchers developing fluorinated drug candidates or advanced materials.

Key identifiers: MFCD07368017, EINECS 801-149-1. Available in research quantities from 1g to 1kg with custom packaging options. SDS and analytical certificates are provided with all orders.

Properties

• CAS Number: 406482-22-2
• Complexity: 134
• IUPAC Name: 1-bromo-2,3-difluoro-4-methoxy-benzene
• InChI: InChI=1S/C7H5BrF2O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
• InChI Key: VZMFIPVRFWZDPI-UHFFFAOYSA-N
• Exact Mass: 221.94918
• Molecular Formula: C7H5BrF2O
• Molecular Weight: 223.01
• SMILES: COC1=C(C(=C(C=C1)Br)F)F
• Topological: 9.2
• Monoisotopic Mass: 221.94918
• Synonyms: 4-bromo-2,3-Difluoroanisole, 801-149-1, 406482-22-2, 1-bromo-2,3-difluoro-4-methoxybenzene, MFCD07368017, 1-bromo-2,3-difluoro-4-methoxy-benzene, 2,3-DIFLUORO-4-BROMOANISOLE, Benzene, 1-bromo-2,3-difluoro-4-methoxy-, SCHEMBL1662632, DTXSID20616581, VZMFIPVRFWZDPI-UHFFFAOYSA-N, SBB096412, AKOS015834831, AC-23887, DS-14956, SY023566, CS-0150640, EN300-6774812, 1-bromanyl-2,3-bis(fluoranyl)-4-methoxy-benzene, A825215

Application

4-Bromo-2,3-difluoroanisole serves as a versatile intermediate in organic synthesis, particularly for introducing difluoromethoxybenzene motifs into target molecules. Researchers utilize this compound in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to create complex fluorinated architectures. The electron-withdrawing nature of the fluorine atoms makes it valuable for developing pharmaceutical compounds with enhanced metabolic stability. Additionally, it finds use in materials science for synthesizing liquid crystals and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): 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 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• 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.