structure of 4-Chloro-3,5-dibromo-tert-butylbenzene

4-Chloro-3,5-dibromo-tert-butylbenzene

CAS No.: 1000578-25-5
M. Wt: 326.455
M. Fa: C10H11Br2Cl
InChI Key: WMMPUKCLMBOGTC-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 4-Chloro-3,5-dibromo-tert-butylbenzene

CAS Number

1000578-25-5

MDL Number

MFCD09878148

IUPAC Name

1,3-dibromo-5-tert-butyl-2-chlorobenzene

InChI

InChI=1S/C10H11Br2Cl/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,1-3H3

InChIKey

WMMPUKCLMBOGTC-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)C1=CC(=C(C(=C1)Br)Cl)Br

UNSPSC Code

12352100

Physical and chemical properties of 4-Chloro-3,5-dibromo-tert-butylbenzene

Boiling Point

287.6±35.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

323.891602

Flash Point

165.1±16.0 °C

Index of Refraction

1.561

LogP

5.82

Molecular Formula

C10H11Br2Cl

Molecular Weight

326.455

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 4-Chloro-3,5-dibromo-tert-butylbenzene

Pictograms

Signal Word

 Warning

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

Applications of 4-Chloro-3,5-dibromo-tert-butylbenzene

4-Chloro-3,5-dibromo-tert-butylbenzene finds applications in various fields:

  • Proteomics Research: It is used as a specialty product for studying protein interactions and functions due to its unique chemical properties.
  • Organic Synthesis: The compound serves as an intermediate in synthesizing more complex organic molecules.
  • Material Science: Its unique properties may be exploited in developing new materials with specific functionalities.

Interaction Studies of 4-Chloro-3,5-dibromo-tert-butylbenzene

Interaction studies involving 4-Chloro-3,5-dibromo-tert-butylbenzene focus on its reactivity with biological targets and other chemical species. Preliminary studies indicate potential interactions with enzymes or receptors, which could lead to insights into its biological mechanisms. Further research is needed to establish comprehensive interaction profiles and their implications for drug development or environmental impact.

Biological Activity of 4-Chloro-3,5-dibromo-tert-butylbenzene

Research indicates that 4-Chloro-3,5-dibromo-tert-butylbenzene exhibits biological activity that may be relevant in pharmacological contexts. Some studies suggest it may possess antimicrobial properties, although specific mechanisms and efficacy require further investigation. Its halogenated structure is often associated with increased biological activity compared to non-halogenated analogs.

Physical sample testing spectrum (NMR) of 4-Chloro-3,5-dibromo-tert-butylbenzene

Physical sample testing spectrum (NMR) of 4-Chloro-3,5-dibromo-tert-butylbenzene