CAS 4110-35-4

3,5-Dinitrobenzonitrile

Description:

3,5-Dinitrobenzonitrile is an organic compound characterized by the presence of both nitro groups and a nitrile functional group attached to a benzene ring. Its molecular structure features two nitro groups located at the 3 and 5 positions relative to the nitrile group, which is at the 1 position. This compound is typically a yellow crystalline solid and is known for its relatively high stability under standard conditions. It is sparingly soluble in water but more soluble in organic solvents such as acetone and ethanol. 3,5-Dinitrobenzonitrile is primarily used in organic synthesis and as an intermediate in the production of various chemical compounds, including pharmaceuticals and agrochemicals. The presence of multiple electronegative nitro groups contributes to its reactivity, making it a useful building block in synthetic chemistry. Additionally, due to its potential environmental and health impacts, handling this compound requires appropriate safety measures to mitigate risks associated with its toxicity and reactivity.

Formula: C₇H₃N₃O₄

InChI: InChI=1S/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H

InChI key: InChIKey=SSDNULNTQAUNFQ-UHFFFAOYSA-N

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

Synonyms:

• 1,3-Dinitro-5-cyanobenzene
• 3,5-Dinitro-Benzonitril
• 5-Cyano-1,3-dinitrobenzene
• Benzonitrile, 3,5-dinitro-
• 3,5-Dinitrobenzonitrile

3,5-Dinitrobenzonitrile

CAS: 4110-35-4

Formula: C₇H₃N₃O₄

Purity: >98.0%(GC)

Color and Shape: White to Yellow to Green powder to crystal

Molecular weight: 193.12

Ref: 3B-D2082

3,5-Dinitrobenzonitrile, 98%

CAS: 4110-35-4

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₃N₃O₄

Purity: 98%

Color and Shape: Crystals or powder or crystalline powder, Cream to yellow

Molecular weight: 193.12

Ref: 02-A15223

3,5-Dinitrobenzonitrile

CAS: 4110-35-4

Formula: C₇H₃N₃O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 193.1164

Ref: IN-DA0033JQ

3,5-Dinitrobenzonitrile

CAS: 4110-35-4

3,5-Dinitrobenzonitrile

Formula: C₇H₃N₃O₄

Purity: 98%

Color and Shape: pale. creamy lemon crystalline needles

Molecular weight: 193.12g/mol

Ref: 54-OR21915

3,5-Dinitrobenzonitrile

CAS: 4110-35-4

Formula: C₇H₃N₃O₄

Purity: 98%

Molecular weight: 193.118

Ref: 10-F215730

3,5-Dinitrobenzonitrile

CAS: 4110-35-4

3,5-Dinitrobenzonitrile is a chemical compound that is used as a reagent in organic synthesis. It is carcinogenic and has been shown to produce tumors when administered intraperitoneally. 3,5-Dinitrobenzonitrile has been found to react with hydrochloric acid in the presence of nitrous acid to form chloride, nitro, and water. The reaction mechanism of this process involves dehydration at the C-N bond followed by an amide formation. This reaction product can be observed using magnetic resonance spectroscopy (NMR).

Formula: C₇H₃N₃O₄

Purity: Min. 95%

Molecular weight: 193.12 g/mol

Ref: 3D-EAA11035