structure of N,N-Dimethyl-4-nitroaniline

N,N-Dimethyl-4-nitroaniline

CAS No.: 100-23-2
M. Wt: 166.177
M. Fa: C8H10N2O2
InChI Key: QJAIOCKFIORVFU-UHFFFAOYSA-N
Appearance: Light Yellow To Brown Powder To Crystal

Names and Identifiers of N,N-Dimethyl-4-nitroaniline

CAS Number

100-23-2

EC Number

202-832-1

MDL Number

MFCD00014712

IUPAC Name

N,N-dimethyl-4-nitroaniline

InChI

InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3

InChIKey

QJAIOCKFIORVFU-UHFFFAOYSA-N

Canonical SMILES

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

UNII

H347TX7J9K

UNSPSC Code

12352100

Physical and chemical properties of N,N-Dimethyl-4-nitroaniline

Boiling Point

287.6±23.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

166.074234

Flash Point

127.7±22.6 °C

Index of Refraction

1.592

LogP

2.61

Melting Point

163-165 °C

Molecular Formula

C8H10N2O2

Molecular Weight

166.177

PSA

49.06000

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of N,N-Dimethyl-4-nitroaniline

Pictograms

Signal Word

 Warning

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

Applications of N,N-Dimethyl-4-nitroaniline

N,N-Dimethyl-4-nitroaniline finds applications in several fields:

  • Dyes and Pigments: It serves as an intermediate in the synthesis of azo dyes and other colorants.
  • Pharmaceuticals: Its derivatives are explored for potential use in medicinal chemistry due to their biological activities.
  • Analytical Chemistry: It is used in diagnostic assays and histological staining processes.

Interaction Studies of N,N-Dimethyl-4-nitroaniline

Studies have demonstrated that N,N-Dimethyl-4-nitroaniline interacts with various biological molecules, leading to alterations in cellular functions. For instance, its ability to generate reactive oxygen species has been linked to oxidative stress in cells. Furthermore, its interactions with proteins can influence enzymatic activities, which may contribute to its mutagenic properties.

Biological Activity of N,N-Dimethyl-4-nitroaniline

Research indicates that N,N-Dimethyl-4-nitroaniline exhibits biological activity, particularly as a potential mutagen and carcinogen. Its derivatives have been studied for their effects on cellular systems, including oxidative stress responses. The compound's structure allows it to interact with various biological targets, which may lead to significant toxicological effects.

Retrosynthesis analysis of N,N-Dimethyl-4-nitroaniline

  • Route#1

    Cas:100-25-4
    Cas:680-31-9
    Cas:100-23-2

  • Route#2

    Cas:100-25-4
    Cas:58669-01-5
    Cas:100-23-2

  • Route#3

    Cas:100-25-4
    Cas:58669-01-5
    Cas:680-31-9
    Cas:100-23-2