structure of N-Methyl-4-nitroaniline

N-Methyl-4-nitroaniline

CAS No.: 100-15-2
M. Wt: 152.151
M. Fa: C7H8N2O2
InChI Key: XIFJZJPMHNUGRA-UHFFFAOYSA-N
Appearance: Yellow solid

Names and Identifiers of N-Methyl-4-nitroaniline

CAS Number

100-15-2

EC Number

202-823-2

IUPAC Name

N-methyl-4-nitroaniline

InChI

InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3

InChIKey

XIFJZJPMHNUGRA-UHFFFAOYSA-N

Canonical SMILES

CNC1=CC=C(C=C1)[N+](=O)[O-]

UNII

J836WLV9BW

Physical and chemical properties of N-Methyl-4-nitroaniline

Acidity coefficient

0.56±0.12(Predicted)

Boiling Point

Decomposes (NTP, 1992)

BRN

637920

Density

1.201 at 311 °F (NTP, 1992)

Exact Mass

152.058578

Flash Point

129.5±22.6 °C

Index of Refraction

1.620

LogP

2.04

Melting Point

306 °F (NTP, 1992)

Molecular Formula

C7H8N2O2

Molecular Weight

152.151

PSA

57.85000

Solubility

less than 1 mg/mL at 66 °F (NTP, 1992)

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Vapour density

5.25 (vs air)

Vapour Pressure

0.00764 [mmHg]

Water Solubility

<0.1 g/100 mL at 19 ºC

Safety Information of N-Methyl-4-nitroaniline

Pictograms

Signal Word

 Danger

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

Applications of N-Methyl-4-nitroaniline

4-NitroanilineLacks methyl groupUsed primarily in dye synthesisN,N-Dimethyl-4-nitroanilineTwo methyl groupsCommonly used in pharmaceuticals2-NitroanilineNitro group at different positionUtilized in dye productionAnilineBasic amine without nitro groupFundamental building block in organic chemistry

Interaction Studies of N-Methyl-4-nitroaniline

Interaction studies focusing on N-Methyl-4-nitroaniline have primarily examined its behavior in environmental contexts. Research indicates that while it may undergo microbial degradation under anaerobic conditions, aerobic degradation remains less documented. Soil microcosm studies have shown efficient degradation by soil microorganisms, suggesting potential pathways for bioremediation. Its interactions with other chemicals also warrant caution due to possible hazardous reactions when combined with strong oxidizers or heated above certain temperatures.

Biological Activity of N-Methyl-4-nitroaniline

The biological activity of N-Methyl-4-nitroaniline has been studied primarily in terms of its environmental impact and potential toxicity. While specific pharmacological effects are not well-documented, its classification as an aromatic amine raises concerns regarding mutagenicity and carcinogenicity. Studies indicate that compounds of this class may pose risks to human health and the environment due to their persistence and potential for bioaccumulation.

Physical sample testing spectrum (NMR) of N-Methyl-4-nitroaniline

Physical sample testing spectrum (NMR) of N-Methyl-4-nitroaniline

Retrosynthesis analysis of N-Methyl-4-nitroaniline

  • Route#1

    Cas:100-25-4
    Cas:74-89-5
    Cas:100-15-2

  • Route#2

    Cas:16135-31-2
    Cas:100-15-2

  • Route#3

    Cas:100-23-2
    Cas:100-15-2