structure of Methyl 3,5-dichloro-4-fluorobenzoate

Methyl 3,5-dichloro-4-fluorobenzoate

CAS No.: 1214375-18-4
M. Wt: 223.02
M. Fa: C8H5Cl2FO2
InChI Key: TVBFNISLGKFSNX-UHFFFAOYSA-N

Names and Identifiers of Methyl 3,5-dichloro-4-fluorobenzoate

CAS Number

1214375-18-4

MDL Number

MFCD12406866

IUPAC Name

methyl 3,5-dichloro-4-fluorobenzoate

InChI

InChI=1S/C8H5Cl2FO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3

InChIKey

TVBFNISLGKFSNX-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=CC(=C(C(=C1)Cl)F)Cl

UNSPSC Code

12352100

Physical and chemical properties of Methyl 3,5-dichloro-4-fluorobenzoate

Boiling Point

282.0±35.0 °C(Predicted)

Density

1.434±0.06 g/cm3(Predicted)

H Bond Acceptors

1

H Bond Donors

0

LogP

3.327514069

Molecular Formula

C8H5Cl2FO2

Molecular Weight

223.02

Safety Information of Methyl 3,5-dichloro-4-fluorobenzoate

Pictograms

Signal Word

 Warning

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

Applications of Methyl 3,5-dichloro-4-fluorobenzoate

Methyl 3,5-dichloro-4-fluorobenzoate finds applications in various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of biologically active compounds.
  • Agricultural Chemicals: The compound may be utilized in the development of agrochemicals due to its biological activity.
  • Material Science: It can be incorporated into polymer formulations or coatings due to its unique chemical properties.

Interaction Studies of Methyl 3,5-dichloro-4-fluorobenzoate

Studies have indicated that methyl 3,5-dichloro-4-fluorobenzoate interacts with various proteins and enzymes, influencing their structure and function. This interaction can lead to significant changes in metabolic pathways, making it a compound of interest for further research in pharmacology and toxicology.