structure of 2-(Bromomethyl)-5-(trifluoromethyl)pyridine

2-(Bromomethyl)-5-(trifluoromethyl)pyridine

CAS No.: 1000773-62-5
M. Wt: 240.020
M. Fa: C7H5BrF3N
InChI Key: UMXIAVUQROUXKO-UHFFFAOYSA-N
Appearance: Red Liquid

Names and Identifiers of 1000773-62-5

CAS Number

1000773-62-5

MDL Number

MFCD11846578

IUPAC Name

2-(bromomethyl)-5-(trifluoromethyl)pyridine

InChI

InChI=1S/C7H5BrF3N/c8-3-6-2-1-5(4-12-6)7(9,10)11/h1-2,4H,3H2

InChIKey

UMXIAVUQROUXKO-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=NC=C1C(F)(F)F)CBr

UNSPSC Code

12352100

Physical and chemical properties of 1000773-62-5

Boiling Point

211.7±35.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

238.955734

Flash Point

81.8±25.9 °C

Index of Refraction

1.488

LogP

2.40

Molecular Formula

C7H5BrF3N

Molecular Weight

240.020

PSA

12.89000

Storage condition

Inert atmosphere,Store in freezer, under -20°C

Vapour Pressure

0.3±0.4 mmHg at 25°C

Safety Information of 1000773-62-5

Pictograms

Signal Word

 Danger

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

Applications of 1000773-62-5

The applications of 2-(Bromomethyl)-5-(trifluoromethyl)pyridine are diverse:

  • Organic Synthesis: It serves as an important intermediate for the synthesis of more complex organic molecules, particularly in pharmaceuticals and agrochemicals.
  • Material Science: The compound may find applications in developing functional materials due to its unique electronic properties.
  • Catalysis: It is utilized in various catalytic processes, especially those involving palladium catalysts.

Interaction Studies of 1000773-62-5

Interaction studies involving 2-(Bromomethyl)-5-(trifluoromethyl)pyridine primarily focus on its reactivity with different nucleophiles and its behavior in catalytic systems. The presence of both bromine and trifluoromethyl groups significantly influences its interaction profile, making it a versatile building block in organic synthesis.

Biological Activity of 1000773-62-5

While specific biological activities of 2-(Bromomethyl)-5-(trifluoromethyl)pyridine are not extensively documented, compounds with similar structures often exhibit interesting biological properties. For instance, trifluoromethylated pyridines are known to possess antimicrobial and anti-inflammatory activities. The electron-withdrawing nature of the trifluoromethyl group may enhance the lipophilicity and bioavailability of derivatives synthesized from this compound.

Physical sample testing spectrum (NMR) of 1000773-62-5

Physical sample testing spectrum (NMR) of 1000773-62-5

Retrosynthesis analysis of 1000773-62-5

  • Route#1

    Cas:31181-84-7
    Cas:1000773-62-5