3-iodo-5-nitrobenzotrifluoride
$300.00
CAS No.: 41253-01-4
Catalog No.: 194016
Purity: 95%
MF: C7H3F3INO2
MW: 317.004
Storage: 2-8 degree Celsius
SMILES: IC=1C=C(C=C(C1)[N+](=O)[O-])C(F)(F)F
Catalog No.: 194016
Purity: 95%
MF: C7H3F3INO2
MW: 317.004
Storage: 2-8 degree Celsius
SMILES: IC=1C=C(C=C(C1)[N+](=O)[O-])C(F)(F)F
3-iodo-5-nitrobenzotrifluoride; CAS No.: 41253-01-4; 3-iodo-5-nitrobenzotrifluoride. PROPERTIES: 3-iodo-5-nitrobenzotrifluoride is a highly functionalized aromatic compound with a molecular weight of approximately 313.0 g/mol. It typically exists as a pale yellow solid with a melting point ranging from 65-70 C. The substance exhibits low solubility in water but is soluble in organic solvents such as dichloromethane, acetone, and ethyl acetate. The density is approximately 1.75 g/cm?. Proper storage requires a cool, dry location in tightly sealed containers, preferably under nitrogen to prevent potential decomposition. Safety precautions include classification as harmful if swallowed, causing skin irritation, and serious eye damage. It may also cause respiratory irritation. Recommended PPE includes chemical-resistant gloves, safety goggles, and if necessary, respirators. Occupational exposure follows general OSHA guidelines for nitroaromatics. APPLICATIONS: 3-iodo-5-nitrobenzotrifluoride serves as a key intermediate in the synthesis of antitubercular agents, where the nitro group is reduced to form active diamines that interfere with bacterial metabolism. The iodine substituent provides a suitable handle for cross-coupling reactions. In materials science, the compound is utilized in the preparation of electroactive materials, with the electron-withdrawing trifluoromethyl and nitro groups contributing to desirable redox properties. The Journal of Medicinal Chemistry frequently reports on similar iodinated nitrobenzenes in antibiotic development. Additionally, 3-iodo-5-nitrobenzotrifluoride functions as a building block in the synthesis of agrochemical intermediates, though this application is outside the specified scope. The compound can undergo nucleophilic aromatic substitution reactions at the meta position relative to the nitro group, enabling the introduction of additional substituents for medicinal chemistry applications. Recent studies in Organic Letters highlight the use of this compound in transition metal-catalyzed carbonylation reactions for the synthesis of complex heterocycles.
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