Description

4-(Difluoromethoxy)-3-methoxybenzaldehyde (CAS No. 162401-70-9) is a high-purity organic compound with the molecular formula C₉H₈F₂O₃. This specialty chemical features a benzaldehyde core substituted with a difluoromethoxy group at the 4-position and a methoxy group at the 3-position, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Ideal for use in cross-coupling reactions, medicinal chemistry, and as a building block for fluorinated compounds. Available in research quantities (100mg to 10g) with optional custom synthesis and bulk packaging.

Properties

• CAS Number: 162401-70-9
• Complexity: 187
• IUPAC Name: 4-(difluoromethoxy)-3-methoxy-benzaldehyde
• InChI: InChI=1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3
• InChI Key: KGPOVKAYCXTCQS-UHFFFAOYSA-N
• Exact Mass: 202.04415044
• Molecular Formula: C9H8F2O3
• Molecular Weight: 202.15
• SMILES: COC1=C(C=CC(=C1)C=O)OC(F)F
• Topological: 35.5
• Monoisotopic Mass: 202.04415044
• Synonyms: 162401-70-9, 4-(difluoromethoxy)-3-methoxybenzaldehyde, DTXSID40390295, DTXCID90341156, 681-039-6, 4-Difluoromethoxy-3-methoxy-benzaldehyde, 3-Methoxy-4-(difluoromethoxy)benzaldehyde, 4-Difluoromethoxy-3-methoxybenzaldehyde, Benzaldehyde, 4-(difluoromethoxy)-3-methoxy-, MFCD03412217, SCHEMBL140472, ALBB-000249, BBL015354, CL8350, SBB009330, STK262896, AKOS000111485, CS-W023076, FM58117, GS-3642, AC-28472, SY034458, 4-(difluoromethoxy)-3-methoxy benzaldehyde, 4-(Difluoromethoxy)-3-methoxy-benzaldehyde, DB-011238, ST45091765, EN300-01171, A1-04475, Z55671898

Application

4-(Difluoromethoxy)-3-methoxybenzaldehyde serves as a key synthetic intermediate in the preparation of bioactive molecules, particularly in pharmaceutical research where fluorinated aromatic compounds are prized for their metabolic stability. The compound’s unique difluoromethoxy moiety makes it valuable for developing kinase inhibitors and GPCR-targeted drugs. It is also employed in material science for creating fluorinated liquid crystals and specialty polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): 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 (33.3%): 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 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (33.3%)

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