structure of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

1-Bromo-2-fluoro-4-iodo-3-methylbenzene

CAS No.: 1000576-29-3
M. Wt: 314.922
M. Fa: C7H5BrFI
InChI Key: MLIFKSSUZINVQO-UHFFFAOYSA-N
Appearance: Pink To Off-White Liquid

Names and Identifiers of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

CAS Number

1000576-29-3

MDL Number

MFCD09800764

IUPAC Name

1-bromo-2-fluoro-4-iodo-3-methylbenzene

InChI

InChI=1S/C7H5BrFI/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3

InChIKey

MLIFKSSUZINVQO-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=CC(=C1F)Br)I

UNSPSC Code

12352100

Physical and chemical properties of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

Boiling Point

257.7±35.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

313.860321

Flash Point

109.6±25.9 °C

Index of Refraction

1.614

LogP

4.38

Molecular Formula

C7H5BrFI

Molecular Weight

314.922

Vapour Pressure

0.0±0.5 mmHg at 25°C

Safety Information of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

Pictograms

Signal Word

 Warning

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

Applications of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

1-Bromo-2-fluoro-4-iodo-3-methylbenzene serves various applications in different fields:

  • Chemical Research: It acts as a building block in synthesizing more complex organic molecules.
  • Biological Studies: The compound can be utilized in developing bioactive molecules for investigating biological processes.
  • Industrial Use: It is employed in producing specialty chemicals and materials with tailored properties .

Interaction Studies of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

The interactions of 1-bromo-2-fluoro-4-iodo-3-methylbenzene with other molecular entities are primarily driven by its electrophilic nature and the presence of halogen atoms. These interactions can lead to the formation of stable complexes through halogen bonding or electrophilic attack on nucleophiles present in biological systems .

Biological Activity of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

While specific biological activity data for 1-bromo-2-fluoro-4-iodo-3-methylbenzene is limited, halogenated aromatic compounds are often studied for their potential bioactivity. Such compounds may exhibit antimicrobial, antifungal, or anticancer properties due to their ability to interact with biological targets through electrophilic mechanisms and halogen bonding .

Physical sample testing spectrum (NMR) of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene

Physical sample testing spectrum (NMR) of 1-Bromo-2-fluoro-4-iodo-3-methylbenzene