Description

4-(Difluoromethoxy)benzoic acid (CAS: 4837-20-1) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₈H₆F₂O₃. This compound is widely used in pharmaceutical and agrochemical research due to its unique difluoromethoxy (-OCF₂H) functional group, which enhances metabolic stability and bioavailability. With a purity of ≥98%, it is ideal for synthetic applications, including the development of bioactive molecules, enzyme inhibitors, and advanced intermediates. The product is supplied as a white to off-white crystalline powder, rigorously tested for quality via HPLC, NMR, and LC-MS. Store in a cool, dry place under inert conditions to ensure long-term stability.

Properties

• CAS Number: 4837-20-1
• Complexity: 176
• IUPAC Name: 4-(difluoromethoxy)benzoic acid
• InChI: InChI=1S/C8H6F2O3/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)
• InChI Key: BSNNYLYELGBSBA-UHFFFAOYSA-N
• Exact Mass: 188.02850037
• Molecular Formula: C8H6F2O3
• Molecular Weight: 188.13
• SMILES: C1=CC(=CC=C1C(=O)O)OC(F)F
• Topological: 46.5
• Monoisotopic Mass: 188.02850037
• Synonyms: 4-(Difluoromethoxy)benzoic acid, 4837-20-1, DTXSID70353232, DTXCID80304295, 625-589-7, MFCD00221454, Benzoic acid, 4-(difluoromethoxy)-, 4-Difluoromethoxy-benzoic acid, p-difluoroanisic acid, 4-difluoromethoxybenzoic acid, AK-968/13278120, 4-(Difluoromethoxy)benzoicacid, 4-difluoromethoxy benzoic acid, p-(difluoromethoxy)benzoic acid, SCHEMBL1018588, SCHEMBL28208867, HMS1763K06, alpha,alpha-Difluoro-p-anisic Acid, SMSSF-0041023, ALBB-000308, BCP20506, 4-[(Difluoromethyl)oxy]benzoic acid, BBL038042, CK1061, SBB003678, STK299276, AKOS000104680, 4-(Difluoromethoxy)benzoic acid, 98%, CS-W016829, AS-18835, SY011864, DB-051548, D4762, ST45061332, EN300-00033, Z56899181, F0238-1103, F1575-0123

4-(Difluoromethoxy)benzoic acid serves as a versatile building block in medicinal chemistry, particularly for synthesizing fluorinated analogs of drug candidates. It is employed in the development of kinase inhibitors, anti-inflammatory agents, and CNS-targeted therapeutics. Researchers also utilize it in agrochemical formulations to enhance pesticide efficacy. Its stability under physiological conditions makes it valuable for pharmacokinetic studies.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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