structure of 5-bromo-3-chloro-2-fluoroBenzonitrile

5-bromo-3-chloro-2-fluoroBenzonitrile

CAS No.: 1000577-76-3
M. Wt: 234.45300
M. Fa: C7H2BrClFN
InChI Key: CFAJQDDAWJDDIX-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 5-bromo-3-chloro-2-fluoroBenzonitrile

CAS Number

1000577-76-3

MDL Number

MFCD09800811

IUPAC Name

5-bromo-3-chloro-2-fluorobenzonitrile

InChI

InChI=1S/C7H2BrClFN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H

InChIKey

CFAJQDDAWJDDIX-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C(=C1C#N)F)Cl)Br

UNSPSC Code

12352100

Physical and chemical properties of 5-bromo-3-chloro-2-fluoroBenzonitrile

Exact Mass

232.90400

LogP

3.11328

Melting Point

55 to 57°C

Molecular Formula

C7H2BrClFN

Molecular Weight

234.45300

PSA

23.79000

Storage condition

2-8°C

Safety Information of 5-bromo-3-chloro-2-fluoroBenzonitrile

Pictograms

Signal Word

 Warning

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

Applications of 5-bromo-3-chloro-2-fluoroBenzonitrile

5-bromo-3-chloro-2-fluorobenzonitrile finds applications in:

  • Pharmaceutical Research: It serves as an intermediate in the synthesis of biologically active compounds.
  • Material Science: Its unique chemical properties may be utilized in developing new materials or coatings.
  • Chemical Synthesis: It acts as a building block for synthesizing more complex organic molecules.

Physical sample testing spectrum (NMR) of 5-bromo-3-chloro-2-fluoroBenzonitrile

Physical sample testing spectrum (NMR) of 5-bromo-3-chloro-2-fluoroBenzonitrile