structure of 2-Chloro-4-methyl-1,3-benzoxazole

2-Chloro-4-methyl-1,3-benzoxazole

CAS No.: 1001185-81-4
M. Wt: 167.59200
M. Fa: C8H6ClNO
InChI Key: ASUINKKWQLZQJB-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 2-Chloro-4-methyl-1,3-benzoxazole

CAS Number

1001185-81-4

EC Number

836-674-5

MDL Number

MFCD16250623

IUPAC Name

2-chloro-4-methyl-1,3-benzoxazole

InChI

InChI=1S/C8H6ClNO/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3

InChIKey

ASUINKKWQLZQJB-UHFFFAOYSA-N

Canonical SMILES

CC1=C2C(=CC=C1)OC(=N2)Cl

UNSPSC Code

12352100

Physical and chemical properties of 2-Chloro-4-methyl-1,3-benzoxazole

Exact Mass

167.01400

H Bond Acceptors

1

H Bond Donors

0

LogP

2.78960

Molecular Formula

C8H6ClNO

Molecular Weight

167.59200

PSA

26.03000

Safety Information of 2-Chloro-4-methyl-1,3-benzoxazole

Pictograms

Signal Word

 Warning

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

Applications of 2-Chloro-4-methyl-1,3-benzoxazole

2-Chloro-4-methyl-1,3-benzoxazole has various applications in different fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of bioactive compounds and pharmaceuticals.
  • Agricultural Chemicals: The compound may be used in developing agrochemicals due to its biological activity.
  • Material Science: Its unique properties make it suitable for use in developing advanced materials.

Interaction Studies of 2-Chloro-4-methyl-1,3-benzoxazole

Interaction studies involving 2-chloro-4-methyl-1,3-benzoxazole have primarily focused on its biological interactions:

  • Binding Affinity Studies: Research indicates that this compound can bind to specific biological targets, potentially influencing metabolic pathways.
  • Synergistic Effects: Studies have explored its synergistic effects when combined with other compounds, enhancing its efficacy against pathogens or cancer cells.

Biological Activity of 2-Chloro-4-methyl-1,3-benzoxazole

Research has indicated that benzoxazole derivatives exhibit a range of biological activities, including:

  • Antimicrobial Properties: Some studies have reported that compounds in this class can inhibit bacterial growth.
  • Anticancer Activity: Certain derivatives have shown cytotoxic effects against various cancer cell lines, indicating potential as anticancer agents.
  • Anti-inflammatory Effects: Benzoxazoles may exhibit anti-inflammatory properties, making them candidates for treating inflammatory diseases.

Retrosynthesis analysis of 2-Chloro-4-methyl-1,3-benzoxazole

  • Route#1

    Cas:2835-97-4
    Cas:1001185-81-4