CAS 22871-55-2

1-Ethyl 5-nitro-1,3-benzenedicarboxylate

Description:

1-Ethyl 5-nitro-1,3-benzenedicarboxylate, with the CAS number 22871-55-2, is an organic compound characterized by its aromatic structure and the presence of both nitro and carboxylate functional groups. This compound features a benzene ring substituted with an ethyl group, a nitro group at the 5-position, and two carboxylate groups at the 1 and 3 positions. The presence of the nitro group typically imparts certain reactivity, making it a potential candidate for further chemical transformations. The carboxylate groups contribute to the compound's polarity and solubility in polar solvents, while the ethyl group enhances its hydrophobic character. This compound may exhibit interesting properties such as potential biological activity or utility in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive and may pose risks. Overall, 1-Ethyl 5-nitro-1,3-benzenedicarboxylate is a notable compound within the realm of organic synthesis and chemical research.

Formula: C₁₀H₉NO₆

InChI: InChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)

InChI key: InChIKey=HOYHBDFTELAGGG-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(C(O)=O)=CC(N(=O)=O)=C1

Synonyms:

• 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-ethyl ester
• 1,3-Benzenedicarboxylic acid, 5-nitro-, monoethyl ester
• 1-Ethyl 5-nitro-1,3-benzenedicarboxylate
• 3-(Ethoxycarbonyl)-5-Nitrobenzoic Acid
• 5-Nitroisophthalic acid, monoethyl ester
• Ethyl 3-carboxy-5-nitrobenzoate
• Isophthalic acid, 5-nitro-, monoethyl ester
• Monoethyl 5-nitroisophthalate
• Monoethyl 5-nitroisophthalic acid

Monoethyl 5-Nitroisophthalate

CAS: 22871-55-2

Formula: C₁₀H₉NO₆

Purity: >98.0%(GC)(T)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 239.18

Ref: 3B-N0676

5-Nitroisophthalic acid monoethyl ester

CAS: 22871-55-2

Formula: C₁₀H₉NO₆

Purity: 98%

Molecular weight: 239.1816

Ref: IN-DA003MXE

5-Nitroisophthalic acid monoethyl ester

CAS: 22871-55-2

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) Å, b = 7.959(3) Å, c = 11.411(4) Å, 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

Formula: C₁₀H₉NO₆

Purity: Min. 95%

Molecular weight: 239.18 g/mol

Ref: 3D-XAA87155