structure of 3-Bromo-2-methyl-5-nitroaniline

3-Bromo-2-methyl-5-nitroaniline

CAS No.: 1000342-34-6
M. Wt: 231.047
M. Fa: C7H7BrN2O2
InChI Key: AORXQFQBVQILBL-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 3-Bromo-2-methyl-5-nitroaniline

CAS Number

1000342-34-6

MDL Number

MFCD09880011

IUPAC Name

3-bromo-2-methyl-5-nitroaniline

InChI

InChI=1S/C7H7BrN2O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,9H2,1H3

InChIKey

AORXQFQBVQILBL-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=C(C=C1Br)[N+](=O)[O-])N

UNSPSC Code

12352100

Physical and chemical properties of 3-Bromo-2-methyl-5-nitroaniline

Acidity coefficient

1.09±0.10(Predicted)

Boiling Point

367.5±37.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

229.969086

Flash Point

176.1±26.5 °C

Index of Refraction

1.649

LogP

2.80

Molecular Formula

C7H7BrN2O2

Molecular Weight

231.047

PSA

71.84000

Storage condition

under inert gas (nitrogen or Argon) at 2–8 °C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 3-Bromo-2-methyl-5-nitroaniline

Pictograms

Signal Word

 Warning

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

Applications of 3-Bromo-2-methyl-5-nitroaniline

3-Bromo-2-methyl-5-nitroaniline finds applications in various fields:

  • Pharmaceuticals: Its derivatives are explored for potential antimicrobial agents.
  • Dyes and Pigments: It serves as an intermediate in dye synthesis due to its reactive functional groups.
  • Research: Used in organic synthesis as a building block for more complex molecules.

The versatility of this compound makes it valuable in both industrial and research settings.

Interaction Studies of 3-Bromo-2-methyl-5-nitroaniline

Studies on 3-Bromo-2-methyl-5-nitroaniline's interactions primarily focus on its biological activity. Research has demonstrated its potential effects against specific bacterial strains, which are essential for developing new antibiotics. Additionally, its interactions with other chemical agents during synthesis can influence reaction pathways and yield.

Biological Activity of 3-Bromo-2-methyl-5-nitroaniline

Research indicates that 3-Bromo-2-methyl-5-nitroaniline exhibits antimicrobial properties. Studies have shown that derivatives of 2-methyl-5-nitroaniline possess significant activity against various bacterial strains. The structure-activity relationship suggests that modifications to the aniline moiety can enhance or diminish biological efficacy.

Physical sample testing spectrum (NMR) of 3-Bromo-2-methyl-5-nitroaniline

Physical sample testing spectrum (NMR) of 3-Bromo-2-methyl-5-nitroaniline