structure of 2-(2-Bromo-3-fluorophenyl)acetonitrile

2-(2-Bromo-3-fluorophenyl)acetonitrile

CAS No.: 1000339-53-6
M. Wt: 214.03400
M. Fa: C8H5BrFN
InChI Key: FNRKRGGFBOTOAT-UHFFFAOYSA-N

Names and Identifiers of 2-(2-Bromo-3-fluorophenyl)acetonitrile

CAS Number

1000339-53-6

MDL Number

MFCD09864671

IUPAC Name

2-(2-bromo-3-fluorophenyl)acetonitrile

InChI

InChI=1S/C8H5BrFN/c9-8-6(4-5-11)2-1-3-7(8)10/h1-3H,4H2

InChIKey

FNRKRGGFBOTOAT-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C(=C1)F)Br)CC#N

UNSPSC Code

12352100

Physical and chemical properties of 2-(2-Bromo-3-fluorophenyl)acetonitrile

Exact Mass

212.95900

H Bond Acceptors

1

H Bond Donors

0

LogP

2.65428

Molecular Formula

C8H5BrFN

Molecular Weight

214.03400

PSA

23.79000

Safety Information of 2-(2-Bromo-3-fluorophenyl)acetonitrile

Pictograms

Signal Word

 Warning

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

Applications of 2-(2-Bromo-3-fluorophenyl)acetonitrile

The primary application of 2-(2-Bromo-3-fluorophenyl)acetonitrile lies in proteomics research, particularly for cysteine alkylation. This technique is crucial for modifying and identifying proteins, enabling researchers to study protein functions and interactions more effectively. Beyond proteomics, ongoing research suggests potential applications in other fields such as medicinal chemistry and synthetic organic chemistry.