structure of 2,5-Dibromo-1,3-dimethylbenzene

2,5-Dibromo-1,3-dimethylbenzene

CAS No.: 100189-84-2
M. Wt: 263.957
M. Fa: C8H8Br2
InChI Key: XXFGKGMZLZIPCN-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 2,5-Dibromo-1,3-dimethylbenzene

CAS Number

100189-84-2

EC Number

673-971-7

MDL Number

MFCD00079745

IUPAC Name

2,5-dibromo-1,3-dimethylbenzene

InChI

InChI=1S/C8H8Br2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

InChIKey

XXFGKGMZLZIPCN-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=CC(=C1Br)C)Br

UNSPSC Code

12352100

Physical and chemical properties of 2,5-Dibromo-1,3-dimethylbenzene

Boiling Point

261.7±35.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

261.899261

Flash Point

125.0±25.2 °C

Index of Refraction

1.579

LogP

4.71

Melting Point

26 to 29°C

Molecular Formula

C8H8Br2

Molecular Weight

263.957

Vapour Pressure

0.0±0.5 mmHg at 25°C

Safety Information of 2,5-Dibromo-1,3-dimethylbenzene

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Interaction Studies of 2,5-Dibromo-1,3-dimethylbenzene

Interaction studies involving 2,5-Dibromo-1,3-dimethylbenzene focus on its reactivity with biological macromolecules. Preliminary data suggest that it may interact with cytochrome P450 enzymes, which play a crucial role in drug metabolism. Additionally, its potential as an inhibitor for certain enzymes has been noted .

Physical sample testing spectrum (NMR) of 2,5-Dibromo-1,3-dimethylbenzene

Physical sample testing spectrum (NMR) of 2,5-Dibromo-1,3-dimethylbenzene

Retrosynthesis analysis of 2,5-Dibromo-1,3-dimethylbenzene

  • Route#1

    Cas:59557-90-3
    Cas:100189-84-2
  • Route#2

    Cas:24596-19-8
    Cas:100189-84-2
  • Route#3

    Cas:108-69-0
    Cas:100189-84-2