structure of 3-Bromo-4-iodoisopropylbenzene

3-Bromo-4-iodoisopropylbenzene

CAS No.: 1000578-18-6
M. Wt: 324.98400
M. Fa: C9H10BrI
InChI Key: YPAAYRSBEOPROG-UHFFFAOYSA-N
Appearance: Yellow Liquid

Names and Identifiers of 3-Bromo-4-iodoisopropylbenzene

CAS Number

1000578-18-6

MDL Number

MFCD09878133

IUPAC Name

2-bromo-1-iodo-4-propan-2-ylbenzene

InChI

InChI=1S/C9H10BrI/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,1-2H3

InChIKey

YPAAYRSBEOPROG-UHFFFAOYSA-N

Canonical SMILES

CC(C)C1=CC(=C(C=C1)I)Br

UNSPSC Code

12352100

Physical and chemical properties of 3-Bromo-4-iodoisopropylbenzene

Exact Mass

323.90100

LogP

4.17710

Molecular Formula

C9H10BrI

Molecular Weight

324.98400

Safety Information of 3-Bromo-4-iodoisopropylbenzene

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 3-Bromo-4-iodoisopropylbenzene

3-Bromo-4-iodoisopropylbenzene has various applications, including:

  • Organic Synthesis: It serves as an intermediate in the synthesis of more complex organic compounds, particularly in pharmaceuticals and agrochemicals.
  • Research: The compound can be utilized in studies related to chemical reactivity and mechanism exploration due to its unique structure.
  • Material Science: Its properties may be explored for applications in developing new materials with specific functionalities.

Biological Activity of 3-Bromo-4-iodoisopropylbenzene

While specific biological activity data for 3-Bromo-4-iodoisopropylbenzene is limited, compounds with similar structures often exhibit significant biological properties. The presence of halogens can enhance the lipophilicity and bioactivity of organic molecules, potentially leading to interactions with biological targets such as enzymes or receptors. Further studies are needed to elucidate its specific biological effects.

Physical sample testing spectrum (NMR) of 3-Bromo-4-iodoisopropylbenzene

Physical sample testing spectrum (NMR) of 3-Bromo-4-iodoisopropylbenzene

Retrosynthesis analysis of 3-Bromo-4-iodoisopropylbenzene

  • Route#1

    Cas:51605-97-1
    Cas:1000578-18-6
  • Route#2

    Cas:103273-01-4
    Cas:1000578-18-6