CAS 2702-58-1

Methyl 3,5-dinitrobenzoate

Description:

Methyl 3,5-dinitrobenzoate is an organic compound characterized by its aromatic structure, featuring a benzoate moiety with two nitro groups positioned at the 3 and 5 positions relative to the ester functional group. Its molecular formula is C9H8N2O5, indicating the presence of carbon, hydrogen, nitrogen, and oxygen atoms. This compound typically appears as a yellow crystalline solid and is known for its relatively low solubility in water, while being more soluble in organic solvents such as ethanol and acetone. Methyl 3,5-dinitrobenzoate is primarily used in chemical synthesis and research, particularly in the development of various pharmaceuticals and agrochemicals. It exhibits properties typical of nitro-substituted aromatic compounds, including potential explosive characteristics under certain conditions, and it may pose health risks if inhaled or ingested. Proper handling and safety precautions are essential when working with this substance in laboratory settings.

Formula: C₈H₆N₂O₆

InChI: InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3

InChI key: InChIKey=POGCCFLNFPIIGW-UHFFFAOYSA-N

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

Synonyms:

• 3,5-Dinitrobenzoic acid methyl ester
• Benzoic acid, 3,5-dinitro-, methyl ester
• Benzoic acid, 3,5-dinitro-, methyl ester (8CI)(9CI)
• Nsc 7317
• Methyl 3,5-dinitrobenzoate

Methyl 3,5-dinitrobenzoate

CAS: 2702-58-1

Formula: C₈H₆N₂O₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 226.1430

Ref: IN-DA003RQK

Methyl 3,5-dinitrobenzoate

CAS: 2702-58-1

Methyl 3,5-dinitrobenzoate

Purity: 98%

Molecular weight: 226.14g/mol

Ref: 54-OR1013812

Methyl 3,5-Dinitrobenzoate

CAS: 2702-58-1

Formula: C₈H₆N₂O₆

Molecular weight: 226.14

Ref: 4Z-B-085211

Methyl 3,5-dinitrobenzoate

CAS: 2702-58-1

Methyl 3,5-dinitrobenzoate is a compound that is used in clinical chemistry. It has a linear calibration curve and can be used to measure the concentrations of chloride ions in solution. Methyl 3,5-dinitrobenzoate reacts with water molecules to form compounds called reaction products. In this chemical reaction, the nucleophilic attack of the methyl group on the chloride ion leads to the formation of an intermediate known as chlorinated methoxybenzene. The chlorinated methoxybenzene then reacts with another water molecule to form a second intermediate called chloroform, which is known as the reaction product. This process continues until all of the chloride ions have been consumed. The final product is methyl 3-chlorophenyl ether, which is not a very stable molecule and quickly decomposes into water and carbon dioxide. Methyl 3,5-dinitrobenzoate can also react with fluoride ions to produce fluorophore and hydrogen bond

Formula: C₈H₆N₂O₆

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 226.14 g/mol

Ref: 3D-FM58879

Methyl 3,5-dinitrobenzoate

CAS: 2702-58-1

Formula: C₈H₆N₂O₆

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 226.144

Ref: 10-F211258