structure of 3-Amino-2-bromophenol

3-Amino-2-bromophenol

CAS No.: 100367-36-0
M. Wt: 188.02200
M. Fa: C6H6BrNO
InChI Key: ZSNIVQDQECTJAJ-UHFFFAOYSA-N
Appearance: Yellow-brown Solid

Names and Identifiers of 3-Amino-2-bromophenol

CAS Number

100367-36-0

MDL Number

MFCD11846453

IUPAC Name

3-amino-2-bromophenol

InChI

InChI=1S/C6H6BrNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2

InChIKey

ZSNIVQDQECTJAJ-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 3-Amino-2-bromophenol

Acidity coefficient

8.48±0.10(Predicted)

Boiling Point

262.2±20.0 °C(Predicted)

Density

1.768±0.06 g/cm3(Predicted)

Exact Mass

186.96300

LogP

2.31810

Molecular Formula

C6H6BrNO

Molecular Weight

188.02200

PSA

46.25000

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Safety Information of 3-Amino-2-bromophenol

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 3-Amino-2-bromophenol

3-Amino-2-bromophenol finds utility in several areas:

  • Dyes and Pigments: It is used as an intermediate in the synthesis of dyes due to its chromophoric properties.
  • Pharmaceuticals: The compound's biological activity makes it a candidate for drug development targeting various diseases.
  • Research Chemicals: It serves as a reagent in organic synthesis and analytical chemistry.

Interaction Studies of 3-Amino-2-bromophenol

Interaction studies have indicated that 3-amino-2-bromophenol can interact with biological macromolecules such as proteins and enzymes. These interactions may lead to changes in enzyme activity or binding affinity, which are crucial for understanding its pharmacological effects. Specifically, it has been noted that this compound may act as an inhibitor for certain cytochrome P450 enzymes, affecting drug metabolism.

Biological Activity of 3-Amino-2-bromophenol

The biological activity of 3-amino-2-bromophenol has been explored in various studies, revealing its potential as:

  • Antimicrobial Agent: It exhibits activity against certain bacteria and fungi, making it a candidate for further development in antimicrobial therapies.
  • Pharmacological Potential: The compound has shown promise in inhibiting specific enzymes, which could be relevant in drug design for treating diseases like cancer or bacterial infections.

Physical sample testing spectrum (NMR) of 3-Amino-2-bromophenol

Physical sample testing spectrum (NMR) of 3-Amino-2-bromophenol

Retrosynthesis analysis of 3-Amino-2-bromophenol

  • Route#1

    Cas:101935-40-4
    Cas:100367-36-0
  • Route#2

    Cas:603-85-0
    Cas:100367-36-0