structure of 2-Fluoro-5-methylsulfonyl-3-nitrotoluene

2-Fluoro-5-methylsulfonyl-3-nitrotoluene

CAS No.: 1000339-67-2
M. Wt: 233.2168232
M. Fa: C8H8FNO4S
InChI Key: XCPRPDSTHZGYMI-UHFFFAOYSA-N

Names and Identifiers of 1000339-67-2

CAS Number

1000339-67-2

MDL Number

MFCD09264540

IUPAC Name

2-fluoro-1-methyl-5-methylsulfonyl-3-nitrobenzene

InChI

InChI=1S/C8H8FNO4S/c1-5-3-6(15(2,13)14)4-7(8(5)9)10(11)12/h3-4H,1-2H3

InChIKey

XCPRPDSTHZGYMI-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(S(C)(=O)=O)=CC([N+](=O)[O-])=C1F

UNSPSC Code

12352100

Physical and chemical properties of 1000339-67-2

Molecular Formula

C8H8FNO4S

Molecular Weight

233.2168232

Safety Information of 1000339-67-2

Pictograms

Signal Word

 Warning

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

Applications of 1000339-67-2

2-Fluoro-5-methylsulfonyl-3-nitrotoluene has several applications:

  • Pharmaceutical Intermediates: It serves as a building block in the synthesis of various pharmaceuticals due to its unique functional groups.
  • Agrochemicals: The compound may be used in developing herbicides or pesticides owing to its potential biological activity.
  • Materials Science: Its unique properties make it suitable for research in materials science, particularly in developing new polymers or coatings.

Interaction Studies of 1000339-67-2

Interaction studies involving 2-Fluoro-5-methylsulfonyl-3-nitrotoluene focus on its reactivity with biological macromolecules such as proteins and nucleic acids. These studies help understand its mechanism of action and potential toxicity.

Preliminary findings suggest that compounds with similar structures can interact with enzymes or receptors, potentially leading to therapeutic effects or adverse reactions .