structure of Ethanone, 1-[5-(bromomethyl)-2-nitrophenyl]-

Ethanone, 1-[5-(bromomethyl)-2-nitrophenyl]-

CAS No.: 99821-59-7
M. Wt: 258.06900
M. Fa: C9H8BrNO3
InChI Key: NBZVFFAEWDJGHN-UHFFFAOYSA-N

Names and Identifiers of 99821-59-7

CAS Number

99821-59-7

MDL Number

MFCD29763507

IUPAC Name

1-[5-(bromomethyl)-2-nitrophenyl]ethanone

InChI

InChI=1S/C9H8BrNO3/c1-6(12)8-4-7(5-10)2-3-9(8)11(13)14/h2-4H,5H2,1H3

InChIKey

NBZVFFAEWDJGHN-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 99821-59-7

Exact Mass

256.96900

H Bond Acceptors

3

H Bond Donors

0

LogP

3.21550

Molecular Formula

C9H8BrNO3

Molecular Weight

258.06900

PSA

62.89000

Storage condition

2-8°C

Safety Information of 99821-59-7

Pictograms

Signal Word

 Warning

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

Applications of 99821-59-7

Ethanone, 1-[5-(bromomethyl)-2-nitrophenyl]- has potential applications in:

  • Pharmaceuticals: As an intermediate in the synthesis of biologically active compounds.
  • Dyes and Pigments: Due to its chromophoric properties, it may be used in dye formulations.
  • Agricultural Chemicals: Similar compounds are often explored for use as pesticides or herbicides.

Physical sample testing spectrum (NMR) of 99821-59-7

Physical sample testing spectrum (NMR) of 99821-59-7

Retrosynthesis analysis of 99821-59-7

  • Route#1

    Cas:69976-70-1
    Cas:99821-59-7