Description

2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide (CAS No. 52130-86-6) is a high-purity synthetic organic compound with the molecular formula C₁₅H₁₀BrFN₂O₄. This specialized chemical features a bromoacetamide moiety linked to a 2-fluorobenzoyl-substituted nitrophenyl group, making it a valuable intermediate for pharmaceutical and agrochemical research. With a molecular weight of 381.16 g/mol, it is supplied as a crystalline solid with ≥95% purity (HPLC). Ideal for cross-coupling reactions, nucleophilic substitutions, and as a precursor in heterocyclic synthesis, this compound is rigorously tested for consistency and stability. Store in a cool, dry place under inert conditions to maintain optimal quality.

Properties

• CAS Number: 52130-86-6
• Complexity: 471
• IUPAC Name: 2-bromo-N-[2-(2-fluorobenzoyl)-4-nitro-phenyl]acetamide
• InChI: InChI=1S/C15H10BrFN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)
• InChI Key: DGIHQJAKOHGCOQ-UHFFFAOYSA-N
• Exact Mass: 379.98080
• Molecular Formula: C15H10BrFN2O4
• Molecular Weight: 381.15
• SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CBr)F
• Topological: 92
• Monoisotopic Mass: 379.98080
• Synonyms: 52130-86-6, 2-bromo-n-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide, EINECS 257-680-9, 2-Bromo-N-(2-(2-fluorobenzoyl)-4-nitrophenyl)acetamide, DTXSID90200138, DTXCID90122629, 257-680-9, SCHEMBL11880121, DGIHQJAKOHGCOQ-UHFFFAOYSA-N, DB-313797, NS00059232, 2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl ]acetamide

Application

2-Bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide is primarily used as a key intermediate in the synthesis of bioactive molecules, particularly in medicinal chemistry for developing kinase inhibitors and antimicrobial agents. Its reactive bromoacetamide group enables facile functionalization in peptide coupling and heterocycle formation. Researchers also employ it in material science for designing fluorophore-labeled probes. Suitable for controlled reactions under anhydrous conditions, it is commonly utilized in Pd-catalyzed cross-coupling methodologies.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P271, P272, P280, P302+P352, P304+P340, P319, P321, P333+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Sens. 1 (100%)
• STOT SE 3 (100%)

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