XAA87155

5-Nitroisophthalic acid monoethyl ester

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CAS No

[22871-55-2]

Product Code

XAA87155

MDL No

MFCD00130051

MOL file

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Chemical Formula

C₁₀H₉NO₆

Molecular Weight

239.18 g/mol

Smiles

CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

5-Nitroisophthalic acid monoethyl ester is an organic compound that belongs to the group of nitro compounds. It has a molecular weight of 188.1 g/mol and the chemical formula C6H4(NO2)2OCH2CH3. The crystallographic data were collected in two different crystallization experiments and show a monoclinic crystal structure with space group P21/n, lattice constants a = 8.852(3) ?, b = 7.959(3) ?, c = 11.411(4) ?, β = 98.532(10)°, and Z = 4. The molecular structure was determined by X-ray diffraction analysis with Bruker D8 Advanced Diffractometer at 100 Kv using CuKα radiation (λ=0.1542 nm). This compound is an isotropic solid that is soluble in benzene and methanol, but

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TSE / BSE Statement

TSE-BSE declaration 5-Nitroisophthalic acid monoethyl ester XAA87155

Retest Statement

Retest Statement 5-Nitroisophthalic acid monoethyl ester XAA87155

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structure, crystal structure, crystal, bruker, isotropic, atomic, data, molecular, molecular structure, benzene ring, groups, crystallographic, hydrogen, dihedral, radiation, monoclinic, nitro groups, crystallographic data, parameters, asymmetric, compound, 2-nitroisophthalic acid, nitro, ethyl, benzene, hydrogen bonds,

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