structure of 2-(4,5-Difluoro-2-nitrophenyl)acetic acid

2-(4,5-Difluoro-2-nitrophenyl)acetic acid

CAS No.: 1000339-22-9
M. Wt: 217.12600
M. Fa: C8H5F2NO4
InChI Key: MKRFZKGJZRUCEG-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000339-22-9

CAS Number

1000339-22-9

MDL Number

MFCD09878318

IUPAC Name

2-(4,5-difluoro-2-nitrophenyl)acetic acid

InChI

InChI=1S/C8H5F2NO4/c9-5-1-4(2-8(12)13)7(11(14)15)3-6(5)10/h1,3H,2H2,(H,12,13)

InChIKey

MKRFZKGJZRUCEG-UHFFFAOYSA-N

Canonical SMILES

C1=C(C(=CC(=C1F)F)[N+](=O)[O-])CC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000339-22-9

Exact Mass

217.01900

LogP

2.02330

Molecular Formula

C8H5F2NO4

Molecular Weight

217.12600

PSA

83.12000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 1000339-22-9

Pictograms

Signal Word

 Warning

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

Applications of 1000339-22-9

The applications of 2-(4,5-Difluoro-2-nitrophenyl)acetic acid span various fields:

  • Organic Synthesis: It serves as a building block for more complex organic molecules and is involved in various synthetic pathways.
  • Biological Research: Investigated for potential interactions with enzymes and other biological targets, contributing to drug discovery efforts.
  • Material Science: Explored for its properties in developing new materials and chemical processes.

Interaction Studies of 1000339-22-9

Research into the interaction studies involving 2-(4,5-Difluoro-2-nitrophenyl)acetic acid is ongoing. Initial findings suggest that it may interact with specific enzymes or receptors within biological systems, although detailed mechanisms remain to be elucidated. Understanding these interactions could lead to insights into its potential therapeutic uses or toxicity profiles.

Biological Activity of 1000339-22-9

The biological activity of 2-(4,5-Difluoro-2-nitrophenyl)acetic acid is currently under investigation. It is believed to interact with various biological macromolecules, potentially influencing biochemical pathways relevant to pharmacology. While specific pharmacological properties have not been fully characterized or approved for medicinal use, preliminary studies suggest it may exhibit anti-inflammatory or analgesic effects due to its structural similarity to other bioactive compounds.

Physical sample testing spectrum (NMR) of 1000339-22-9

Physical sample testing spectrum (NMR) of 1000339-22-9