structure of 2-Bromo-5-fluoroaniline

2-Bromo-5-fluoroaniline

CAS No.: 1003-99-2
M. Wt: 190.013
M. Fa: C6H5BrFN
InChI Key: FWTXFEKVHSFTDQ-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 2-Bromo-5-fluoroaniline

CAS Number

1003-99-2

MDL Number

MFCD00070750

IUPAC Name

2-bromo-5-fluoroaniline

InChI

InChI=1S/C6H5BrFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2

InChIKey

FWTXFEKVHSFTDQ-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C=C1F)N)Br

UNSPSC Code

12352100

Physical and chemical properties of 2-Bromo-5-fluoroaniline

Acidity coefficient

1.52±0.10(Predicted)

Boiling Point

228.2±20.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

188.958939

Flash Point

91.8±21.8 °C

Index of Refraction

1.597

LogP

2.58

Melting Point

43-47 °C(lit.)

Molecular Formula

C6H5BrFN

Molecular Weight

190.013

PSA

26.02000

Storage condition

Keep in dark place,Sealed in dry,Room Temperature

Vapour Pressure

0.1±0.5 mmHg at 25°C

Safety Information of 2-Bromo-5-fluoroaniline

Pictograms

Signal Word

 Warning

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

Applications of 2-Bromo-5-fluoroaniline

2-Bromo-5-fluoroaniline is utilized in various applications:

  • Pharmaceutical Synthesis: It serves as an intermediate in the production of pharmaceuticals, particularly those targeting cancer and infectious diseases.
  • Agrochemicals: The compound is also used in developing pesticides and herbicides due to its biological activity.
  • Chemical Research: As a versatile building block, it is employed in synthetic organic chemistry for creating more complex molecules.

Interaction Studies of 2-Bromo-5-fluoroaniline

Studies on 2-bromo-5-fluoroaniline have indicated potential interactions with various biological systems. Its toxicity profile suggests that it may interact adversely with cellular components, leading to cytotoxic effects. These interactions are crucial for understanding its safety profile and therapeutic potential.

Biological Activity of 2-Bromo-5-fluoroaniline

The biological activity of 2-bromo-5-fluoroaniline has been explored in various studies. It exhibits moderate toxicity, being classified as harmful if swallowed or if it comes into contact with skin. Some derivatives of this compound have shown potential as pharmaceutical agents, particularly in anti-cancer research due to their ability to interfere with cellular processes.

Physical sample testing spectrum (NMR) of 2-Bromo-5-fluoroaniline

Physical sample testing spectrum (NMR) of 2-Bromo-5-fluoroaniline

Retrosynthesis analysis of 2-Bromo-5-fluoroaniline

  • Route#1

    Cas:446-09-3
    Cas:1003-99-2

  • Route#2

    Cas:460-00-4
    Cas:1003-99-2

  • Route#3

    Cas:364-78-3
    Cas:1003-99-2