structure of 3,5-Dibromo-2-fluoro-4-methylpyridine

3,5-Dibromo-2-fluoro-4-methylpyridine

CAS No.: 1000340-01-1
M. Wt: 268.909
M. Fa: C6H4Br2FN
InChI Key: LAOILGACTMFPSZ-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 3,5-Dibromo-2-fluoro-4-methylpyridine

CAS Number

1000340-01-1

MDL Number

MFCD09864703

IUPAC Name

3,5-dibromo-2-fluoro-4-methylpyridine

InChI

InChI=1S/C6H4Br2FN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3

InChIKey

LAOILGACTMFPSZ-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C(=NC=C1Br)F)Br

UNSPSC Code

12352100

Physical and chemical properties of 3,5-Dibromo-2-fluoro-4-methylpyridine

Acidity coefficient

-4.50±0.28(Predicted)

Boiling Point

248.5±35.0 °C at 760 mmHg

Density

2.0±0.1 g/cm3

Exact Mass

266.869446

Flash Point

104.1±25.9 °C

Index of Refraction

1.571

LogP

3.15

Molecular Formula

C6H4Br2FN

Molecular Weight

268.909

PSA

12.89000

Vapour Pressure

0.0±0.5 mmHg at 25°C

Safety Information of 3,5-Dibromo-2-fluoro-4-methylpyridine

Pictograms

Signal Word

 Warning

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

Applications of 3,5-Dibromo-2-fluoro-4-methylpyridine

3,5-Dibromo-2-fluoro-4-methylpyridine has several potential applications:

  • Pharmaceuticals: It may serve as an intermediate in the synthesis of various pharmaceutical compounds due to its unique structure.
  • Agricultural Chemicals: The compound could be explored for use in agrochemicals, particularly as a pesticide or herbicide.
  • Material Science: Its properties may be utilized in developing new materials with specific electronic or optical characteristics.

Interaction Studies of 3,5-Dibromo-2-fluoro-4-methylpyridine

Interaction studies involving 3,5-dibromo-2-fluoro-4-methylpyridine focus on its reactivity with biological macromolecules and other small molecules. Investigations typically assess:

  • Binding Affinity: How well the compound interacts with target proteins or enzymes.
  • Mechanism of Action: Understanding how it affects biological pathways at a molecular level.
  • Toxicity Profiles: Evaluating safety and potential side effects when used in biological systems.

Physical sample testing spectrum (NMR) of 3,5-Dibromo-2-fluoro-4-methylpyridine

Physical sample testing spectrum (NMR) of 3,5-Dibromo-2-fluoro-4-methylpyridine