structure of 2-Chloropyridine-d4

2-Chloropyridine-d4

CAS No.: 1001003-94-6
M. Wt: 117.57000
M. Fa: C5ClD4N
InChI Key: OKDGRDCXVWSXDC-RHQRLBAQSA-N

Names and Identifiers of 2-Chloropyridine-d4

CAS Number

1001003-94-6

EC Number

806-221-6

IUPAC Name

2-chloro-3,4,5,6-tetradeuteriopyridine

InChI

InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H/i1D,2D,3D,4D

InChIKey

OKDGRDCXVWSXDC-RHQRLBAQSA-N

Canonical SMILES

C1=CC=NC(=C1)Cl

Isomeric SMILES

[2H]C1=C(C(=NC(=C1[2H])Cl)[2H])[2H]

Physical and chemical properties of 2-Chloropyridine-d4

Exact Mass

117.02800

LogP

1.73500

Molecular Formula

C5ClD4N

Molecular Weight

117.57000

PSA

12.89000

Safety Information of 2-Chloropyridine-d4

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 2-Chloropyridine-d4

The applications of 2-chloropyridine span across various industries:

  • Pharmaceuticals: It serves as a key intermediate in the synthesis of antihistamines, antiarrhythmics, and other therapeutic agents.
  • Agriculture: Used in the production of fungicides and insecticides that help protect crops from pests and diseases.
  • Chemical Synthesis: Acts as a building block for synthesizing more complex organic molecules in research and industrial chemistry.

Interaction Studies of 2-Chloropyridine-d4

Interaction studies have highlighted the mutagenic potential of 2-chloropyridine under certain conditions. Research indicates that its metabolites may exhibit genotoxic effects when activated by metabolic processes in organisms. For instance:

  • In various assays, including those using Salmonella typhimurium strains, it has shown mutagenic properties when metabolic activation occurs.
  • The compound's interactions with cellular components can lead to structural chromosome aberrations and micronuclei formation in mammalian systems.

Biological Activity of 2-Chloropyridine-d4

2-Chloropyridine exhibits various biological activities, particularly in pharmaceutical applications. It serves as a precursor for several important drugs:

  • Antihistamines: It is involved in the synthesis of antihistamines such as pheniramine, which is used for allergy relief.
  • Fungicides and Insecticides: The compound is utilized to manufacture fungicides like pyrithione and insecticides such as pyripropoxyfen, which are effective in agricultural settings.
  • Toxicological Profile: While it has beneficial uses, 2-chloropyridine is also associated with toxicity. It can irritate skin and mucous membranes and has been classified as a potential carcinogen based on certain studies.

Retrosynthesis analysis of 2-Chloropyridine-d4

  • Route#1

    Cas:110-86-1
    Cas:1001003-94-6
  • Route#2

    Cas:504-29-0
    Cas:1001003-94-6