structure of 6-Iodobenzo[d][1,3]dioxol-5-amine

6-Iodobenzo[d][1,3]dioxol-5-amine

CAS No.: 1000802-34-5
M. Wt: 263.033
M. Fa: C7H6INO2
InChI Key: QJMNGYVZGVGPQH-UHFFFAOYSA-N
Appearance: Black Solid

Names and Identifiers of 6-Iodobenzo[d][1,3]dioxol-5-amine

CAS Number

1000802-34-5

MDL Number

MFCD23728743

IUPAC Name

6-iodo-1,3-benzodioxol-5-amine

InChI

InChI=1S/C7H6INO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,9H2

InChIKey

QJMNGYVZGVGPQH-UHFFFAOYSA-N

Canonical SMILES

C1OC2=C(O1)C=C(C(=C2)N)I

UNSPSC Code

12352100

Physical and chemical properties of 6-Iodobenzo[d][1,3]dioxol-5-amine

Boiling Point

327.2±42.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

262.944305

Flash Point

151.7±27.9 °C

Index of Refraction

1.724

LogP

2.27

Molecular Formula

C7H6INO2

Molecular Weight

263.033

PSA

44.48000

Storage condition

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

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 6-Iodobenzo[d][1,3]dioxol-5-amine

Pictograms

Signal Word

 Warning

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

Applications of 6-Iodobenzo[d][1,3]dioxol-5-amine

6-Iodobenzo[d][1,3]dioxol-5-amine has several applications across various fields:

  • Chemical Research: It serves as a building block in the synthesis of more complex organic molecules.
  • Pharmaceutical Development: Its potential therapeutic properties are being explored for use in drug formulation.
  • Material Science: The compound is utilized in developing new materials and as an intermediate in synthesizing specialty chemicals.

Interaction Studies of 6-Iodobenzo[d][1,3]dioxol-5-amine

Interaction studies involving 6-Iodobenzo[d][1,3]dioxol-5-amine focus on its binding affinity to various biological targets. These studies are crucial for understanding its mechanism of action and potential therapeutic applications. Research indicates that the iodine substituent may enhance interactions with specific enzymes or receptors, contributing to its biological activity.

Biological Activity of 6-Iodobenzo[d][1,3]dioxol-5-amine

Research indicates that 6-Iodobenzo[d][1,3]dioxol-5-amine exhibits notable biological activities. Preliminary studies suggest potential antimicrobial and anticancer properties, making it a candidate for further exploration in drug development. The mechanism of action is believed to involve interactions with specific biological targets, potentially enhancing its reactivity and binding affinity due to the presence of iodine.

Physical sample testing spectrum (NMR) of 6-Iodobenzo[d][1,3]dioxol-5-amine

Physical sample testing spectrum (NMR) of 6-Iodobenzo[d][1,3]dioxol-5-amine

Retrosynthesis analysis of 6-Iodobenzo[d][1,3]dioxol-5-amine

  • Route#1

    Cas:14268-66-7
    Cas:1000802-34-5

  • Route#2

    Cas:1000802-33-4
    Cas:1000802-34-5

  • Route#3

    Cas:13067-19-1
    Cas:1000802-34-5