structure of 4'-Methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid

4'-Methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid

CAS No.: 1000587-29-0
M. Wt: 257.24100
M. Fa: C14H11NO4
InChI Key: FXYMLBWUVKFDCI-UHFFFAOYSA-N

Names and Identifiers of 1000587-29-0

CAS Number

1000587-29-0

MDL Number

MFCD18318971

IUPAC Name

3-(4-methylphenyl)-5-nitrobenzoic acid

InChI

InChI=1S/C14H11NO4/c1-9-2-4-10(5-3-9)11-6-12(14(16)17)8-13(7-11)15(18)19/h2-8H,1H3,(H,16,17)

InChIKey

FXYMLBWUVKFDCI-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=C(C2=CC(C(=O)O)=CC([N+](=O)[O-])=C2)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000587-29-0

Exact Mass

257.06900

LogP

3.79160

Molecular Formula

C14H11NO4

Molecular Weight

257.24100

PSA

83.12000

Storage condition

2-8°C

Safety Information of 1000587-29-0

Pictograms

Signal Word

 Warning

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

Applications of 1000587-29-0

4'-Methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid has several applications across different fields:

  • Chemistry: It serves as a building block for synthesizing more complex organic molecules.
  • Biology: Investigated for its potential biological activities.
  • Medicine: Explored for drug development and as a pharmacophore in medicinal chemistry.
  • Industry: Used in producing dyes, pigments, and specialty chemicals.

Interaction Studies of 1000587-29-0

Interaction studies involving 4'-Methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid focus on its reactivity with various biological targets. These studies are essential for understanding its mechanism of action and potential therapeutic uses. The compound's interactions with enzymes or receptors could reveal insights into its efficacy and safety profiles in biological systems.

Biological Activity of 1000587-29-0

Research into the biological activity of 4'-Methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid has indicated potential antimicrobial and anticancer properties. Such activities are of great interest in medicinal chemistry, where the compound may serve as a lead structure for developing new therapeutic agents.

Retrosynthesis analysis of 1000587-29-0

  • Route#1

    Cas:121-92-6
    Cas:1000587-29-0