structure of 2-Amino-5-bromo-3-iodobenzonitrile

2-Amino-5-bromo-3-iodobenzonitrile

CAS No.: 1000577-44-5
M. Wt: 322.928
M. Fa: C7H4BrIN2
InChI Key: WAAPUHOUXZSDPT-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 2-Amino-5-bromo-3-iodobenzonitrile

CAS Number

1000577-44-5

MDL Number

MFCD09800801

IUPAC Name

2-amino-5-bromo-3-iodobenzonitrile

InChI

InChI=1S/C7H4BrIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2

InChIKey

WAAPUHOUXZSDPT-UHFFFAOYSA-N

Canonical SMILES

N#CC1=CC(Br)=CC(I)=C1N

UNSPSC Code

12352100

Physical and chemical properties of 2-Amino-5-bromo-3-iodobenzonitrile

Boiling Point

330.5±42.0 °C at 760 mmHg

Density

2.4±0.1 g/cm3

Exact Mass

321.860229

Flash Point

153.7±27.9 °C

Index of Refraction

1.751

LogP

3.66

Molecular Formula

C7H4BrIN2

Molecular Weight

322.928

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 2-Amino-5-bromo-3-iodobenzonitrile

Pictograms

Signal Word

 Warning

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

Applications of 2-Amino-5-bromo-3-iodobenzonitrile

2-Amino-5-bromo-3-iodobenzonitrile serves as a versatile building block in organic synthesis. Its applications include:

  • Organic Synthesis: Used extensively as an intermediate in the synthesis of more complex organic molecules.
  • Medicinal Chemistry: Potentially valuable in developing pharmaceutical compounds due to its ability to modify biological activity through structural variations.
  • Material Science: Involved in synthesizing heterocycles and liquid crystals, which have applications in electronic devices and advanced materials.