Description

4-[(3-Fluoro-4-nitrophenyl)methyl]morpholine (CAS No. 552883-91-7) is a high-purity fluorinated nitrophenyl morpholine derivative with the molecular formula C₁₁H₁₃FN₂O₃. This specialized organic compound is designed for advanced research applications, particularly in pharmaceutical and agrochemical development. The product features a morpholine moiety linked to a fluorinated nitrobenzyl group, offering unique reactivity for nucleophilic substitutions and catalytic transformations. Each batch undergoes rigorous QC testing including HPLC, GC/MS, and NMR to ensure ≥95% purity (custom purities available upon request). Supplied as a crystalline solid with typical purity grades of 95-99%, this compound is ideal for medicinal chemistry, heterocyclic synthesis, and structure-activity relationship studies. Store under inert atmosphere at 2-8°C for optimal stability.

Properties

• CAS Number: 552883-91-7
• Complexity: 266
• IUPAC Name: 4-[(3-fluoro-4-nitro-phenyl)methyl]morpholine
• InChI: InChI=1S/C11H13FN2O3/c12-10-7-9(1-2-11(10)14(15)16)8-13-3-5-17-6-4-13/h1-2,7H,3-6,8H2
• InChI Key: ACIOGCCQBJMRIE-UHFFFAOYSA-N
• Exact Mass: 240.09102044
• Molecular Formula: C11H13FN2O3
• Molecular Weight: 240.23
• SMILES: C1COCCN1CC2=CC(=C(C=C2)[N+](=O)[O-])F
• Topological: 58.3
• Monoisotopic Mass: 240.09102044
• Synonyms: 4-[(3-fluoro-4-nitrophenyl)methyl]morpholine, 4-((3-fluoro-4-nitrophenyl)methyl)morpholine, 998-086-6, 552883-91-7, 4-(3-FLUORO-4-NITROBENZYL)MORPHOLINE, SCHEMBL6609562, DTXSID00460943, ACIOGCCQBJMRIE-UHFFFAOYSA-N, AKOS017560008, FF83196, EN300-171028, A1-43066

Application

This fluorinated morpholine derivative serves as a key intermediate in the synthesis of biologically active molecules, particularly kinase inhibitors and antimicrobial agents. The electron-withdrawing nitro and fluoro groups enhance reactivity for palladium-catalyzed cross-coupling reactions. Researchers utilize this compound in structure-activity relationship studies of CNS-targeting pharmaceuticals due to its blood-brain barrier penetrating potential. The morpholine ring provides improved solubility for drug formulation development while maintaining metabolic stability.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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 (100%)
• 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.