structure of 2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone

2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone

CAS No.: 1003879-02-4
M. Wt: 295.931
M. Fa: C8H5Br2FO
InChI Key: IELTVOHIKAUZFA-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1003879-02-4

CAS Number

1003879-02-4

EC Number

828-043-8

MDL Number

MFCD11847180

IUPAC Name

2-bromo-1-(4-bromo-3-fluorophenyl)ethanone

InChI

InChI=1S/C8H5Br2FO/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2

InChIKey

IELTVOHIKAUZFA-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C=C1C(=O)CBr)F)Br

UNSPSC Code

12352100

Physical and chemical properties of 1003879-02-4

Boiling Point

313.4±32.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

293.869110

Flash Point

143.4±25.1 °C

Index of Refraction

1.584

LogP

2.97

Molecular Formula

C8H5Br2FO

Molecular Weight

295.931

PSA

17.07000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1003879-02-4

Pictograms

Signal Word

 Danger

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

Applications of 1003879-02-4

2-Bromo-1-(4-bromo-3-fluorophenyl)ethanone finds applications in various fields:

  • Pharmaceuticals: Potential use in drug development due to its structural properties.
  • Chemical Research: Utilized as an intermediate in the synthesis of more complex organic compounds.
  • Material Science: May be explored for applications in developing new materials with specific electronic or optical properties.

Physical sample testing spectrum (NMR) of 1003879-02-4

Physical sample testing spectrum (NMR) of 1003879-02-4

Retrosynthesis analysis of 1003879-02-4

  • Route#1

    Cas:304445-49-6
    Cas:1003879-02-4

  • Route#2

    Cas:153556-42-4
    Cas:1003879-02-4