CAS 228418-45-9

Methyl 2-nitro-4-(trifluoromethyl)benzoate

Description:

Methyl 2-nitro-4-(trifluoromethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with a nitro group and a trifluoromethyl group as substituents. The presence of the nitro group (-NO2) introduces significant polarity and can enhance the compound's reactivity, particularly in electrophilic aromatic substitution reactions. The trifluoromethyl group (-CF3) is known for its electron-withdrawing properties, which can influence the compound's overall electronic characteristics and stability. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents and may exhibit low solubility in water. Methyl 2-nitro-4-(trifluoromethyl)benzoate is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in synthesis and as an intermediate in chemical reactions. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested.

Formula: C₉H₆F₃NO₄

InChI: InChI=1/C9H6F3NO4/c1-17-8(14)6-3-2-5(9(10,11)12)4-7(6)13(15)16/h2-4H,1H3

SMILES: COC(=O)c1ccc(cc1N(=O)=O)C(F)(F)F

Synonyms:

• Benzoic acid, 2-nitro-4-(trifluoromethyl)-, methyl ester
• Methyl 2-nitro-4-trifluoromethylbenzoate

Methyl 2-nitro-4-(trifluoromethyl)benzoate

CAS: 228418-45-9

Formula: C₉H₆F₃NO₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 249.1434

Ref: IN-DA00BEEM

Methyl 2-nitro-4-(trifluoromethyl)benzoate

CAS: 228418-45-9

Methyl 2-nitro-4-(trifluoromethyl)benzoate

Formula: C₉H₆F₃NO₄

Purity: 98%

Color and Shape: lcear. faint yellow liquid

Molecular weight: 249.14g/mol

Ref: 54-PC7828

Methyl 2-Nitro-4-(trifluoromethyl)benzoate

Controlled Product

CAS: 228418-45-9

Applications Methyl 2-Nitro-4-(trifluoromethyl)benzoate has been used in the synthesis of isoxazolinone antibacterial agents, using nitrogen as a replacement for the stereogenic center of the molecule. Also used in the preparation of benzo[b]azepines as inhibitors of cholesterol ester transfer.n
References Snyder, L. et al.: Bioorg. Med. Chem. Lett., 14, 4735 (2004);

Formula: C₉H₆F₃NO₄

Color and Shape: Colourless To Light Yellow

Molecular weight: 249.15

Ref: TR-M324480

Methyl 2-nitro-4-(trifluoromethyl)benzoate

CAS: 228418-45-9

Purity: 97%

Molecular weight: 249.1450043

Ref: 10-F608727