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

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

CAS No.: 1000573-57-8
M. Wt: 331.37600
M. Fa: C7H5BrClI
InChI Key: LTTIZTDAVFVXLF-UHFFFAOYSA-N
Appearance: Solid

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

CAS Number

1000573-57-8

MDL Number

MFCD09878177

IUPAC Name

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

InChI

InChI=1S/C7H5BrClI/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3

InChIKey

LTTIZTDAVFVXLF-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=CC(=C1Cl)Br)I

UNSPSC Code

12352100

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

Exact Mass

329.83100

LogP

4.01550

Melting Point

69 to 71°C

Molecular Formula

C7H5BrClI

Molecular Weight

331.37600

Storage condition

Keep in dark place,Sealed in dry,2-8°C

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

1-Bromo-2-chloro-4-iodo-3-methylbenzene has several applications across different fields:

  • Organic Synthesis: It serves as a key intermediate for synthesizing more complex organic molecules.
  • Pharmaceutical Development: The compound's unique structure makes it useful in designing bioactive molecules for drug discovery.
  • Material Science: It is utilized in producing specialty chemicals and materials with specific properties due to its functional groups.

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

Interaction studies involving 1-bromo-2-chloro-4-iodo-3-methylbenzene focus on its reactivity with various biological targets:

  • Halogen Bonding: The halogen atoms can form halogen bonds with nucleophiles, influencing the compound's reactivity and selectivity in biochemical pathways.
  • Electrophilic Interactions: The compound acts as an electrophile in substitution reactions, facilitating interactions with nucleophiles in biological systems.