structure of 3-Methoxy-2-nitrobenzamide

3-Methoxy-2-nitrobenzamide

CAS No.: 99595-85-4
M. Wt: 196.16000
M. Fa: C8H8N2O4
InChI Key: MZGJDLQJIXSZRB-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 3-Methoxy-2-nitrobenzamide

CAS Number

99595-85-4

IUPAC Name

3-methoxy-2-nitrobenzamide

InChI

InChI=1S/C8H8N2O4/c1-14-6-4-2-3-5(8(9)11)7(6)10(12)13/h2-4H,1H3,(H2,9,11)

InChIKey

MZGJDLQJIXSZRB-UHFFFAOYSA-N

Canonical SMILES

COC1=CC=CC(=C1[N+](=O)[O-])C(=O)N

UNSPSC Code

12352100

Physical and chemical properties of 3-Methoxy-2-nitrobenzamide

Boiling Point

321.5ºC at 760 mmHg

Density

1.362g/cm3

Exact Mass

196.04800

Flash Point

148.2ºC

H Bond Acceptors

4

H Bond Donors

1

Index of Refraction

1.587

LogP

1.92580

Molecular Formula

C8H8N2O4

Molecular Weight

196.16000

PSA

98.14000

Storage condition

2-8℃

Safety Information of 3-Methoxy-2-nitrobenzamide

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 3-Methoxy-2-nitrobenzamide

3-Methoxy-2-nitrobenzamide has several applications:

  • Pharmaceuticals: Its antimicrobial properties make it a candidate for developing new antibiotics.
  • Chemical Research: Used as an intermediate in synthesizing other organic compounds.
  • Agricultural Chemistry: Potential use in developing agrochemicals due to its biological activity.

The versatility of this compound allows it to be explored across multiple fields.

Interaction Studies of 3-Methoxy-2-nitrobenzamide

Interaction studies involving 3-Methoxy-2-nitrobenzamide focus on its binding affinity to various biological targets, particularly enzymes and receptors related to microbial resistance. These studies are crucial for understanding its mechanism of action and potential side effects when used therapeutically. Preliminary data suggest that it may interact with bacterial enzymes, inhibiting their function and leading to cell death.

Biological Activity of 3-Methoxy-2-nitrobenzamide

Research indicates that 3-Methoxy-2-nitrobenzamide exhibits antimicrobial properties. Studies have shown that substituted benzamides, including this compound, demonstrate activity against both Gram-positive and Gram-negative bacteria. The presence of the nitro group is often associated with enhanced antimicrobial efficacy, making it a candidate for further exploration in drug development.

Physical sample testing spectrum (NMR) of 3-Methoxy-2-nitrobenzamide

Physical sample testing spectrum (NMR) of 3-Methoxy-2-nitrobenzamide

Retrosynthesis analysis of 3-Methoxy-2-nitrobenzamide

  • Route#1

    Cas:4920-80-3
    Cas:99595-85-4
  • Route#2

    Cas:15865-57-3
    Cas:99595-85-4