CAS 618-71-3

Benzoic acid, 3,5-dinitro-, ethyl ester

Description:

Benzoic acid, 3,5-dinitro-, ethyl ester, with the CAS number 618-71-3, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features two nitro groups positioned at the 3 and 5 positions of the benzene ring, which significantly influence its chemical properties and reactivity. It typically appears as a yellow crystalline solid and is known for its relatively low solubility in water, while being more soluble in organic solvents. The presence of the nitro groups enhances its electrophilic character, making it a useful intermediate in organic synthesis and a potential candidate for various applications in pharmaceuticals and agrochemicals. Additionally, the compound may exhibit biological activity, which warrants careful handling due to potential toxicity. As with many nitro compounds, it may also be sensitive to heat and shock, necessitating appropriate safety measures during storage and use.

Formula: C₉H₈N₂O₆

InChI: InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3

InChI key: InChIKey=IBQREHJPMPCXQA-UHFFFAOYSA-N

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

Synonyms:

• 3,5-Dinitrobenzoic acid ethyl ester
• Benzoic acid, 3,5-dinitro-, ethyl ester
• NSC 32741
• Ethyl 3,5-dinitrobenzoate

Ethyl 3,5-dinitrobenzoate

CAS: 618-71-3

Formula: C₉H₈N₂O₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 240.1696

Ref: IN-DA003Q6U

Ethyl 3,5-Dinitrobenzoate

CAS: 618-71-3

Ethyl 3,5-Dinitrobenzoate

Purity: 98%

Molecular weight: 240.17g/mol

Ref: 54-OR1026978

Ethyl 3,5-dinitrobenzoate

CAS: 618-71-3

Ethyl 3,5-dinitrobenzoate is an ethyl ester of 3,5-dinitrobenzoic acid. It is used as a stabilizer for polymers and plastics. It has been shown to be effective in the analysis of molecular descriptors, with a high molecular weight and moderate polarity. This molecule has not been found to have any amine groups or nitro groups, but does contain one hydroxyl group and two methyl groups. Ethyl 3,5-dinitrobenzoate also contains one carboxylic acid group that can form an ester with a second molecule. The refractive index is 1.638 and the inorganic content is 0%. The malic acid content is 12%. Regression analysis shows that the melting point of this compound is 93 degrees Celsius.

Formula: C₉H₈N₂O₆

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 240.17 g/mol

Ref: 3D-FE70670

Ethyl 3,5-dinitrobenzoate

CAS: 618-71-3

Purity: 98%

Molecular weight: 240.1710052

Ref: 10-F752937