structure of 3-Bromo-5-fluoro-4-iodotoluene

3-Bromo-5-fluoro-4-iodotoluene

CAS No.: 1000576-09-9
M. Wt: 314.922
M. Fa: C7H5BrFI
InChI Key: ZAPXFWWYNQUHFD-UHFFFAOYSA-N
Appearance: Clear

Names and Identifiers of 3-Bromo-5-fluoro-4-iodotoluene

CAS Number

1000576-09-9

EC Number

852-625-0

MDL Number

MFCD09800758

IUPAC Name

1-bromo-3-fluoro-2-iodo-5-methylbenzene

InChI

InChI=1S/C7H5BrFI/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3

InChIKey

ZAPXFWWYNQUHFD-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=C(C(=C1)Br)I)F

UNSPSC Code

12352100

Physical and chemical properties of 3-Bromo-5-fluoro-4-iodotoluene

Boiling Point

266.8±35.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

313.860321

Flash Point

115.2±25.9 °C

Index of Refraction

1.614

LogP

4.35

Molecular Formula

C7H5BrFI

Molecular Weight

314.922

Vapour Pressure

0.0±0.5 mmHg at 25°C

Safety Information of 3-Bromo-5-fluoro-4-iodotoluene

Pictograms

Signal Word

 Warning

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

Applications of 3-Bromo-5-fluoro-4-iodotoluene

3-Bromo-5-fluoro-4-iodotoluene serves as a versatile building block in organic synthesis, particularly in the development of complex molecules and pharmaceuticals. Its halogen substituents allow for diverse functionalization pathways, making it valuable in:

  • Medicinal Chemistry: Potential development of drug candidates targeting various diseases.
  • Material Science: Production of specialty chemicals and advanced materials.
  • Agrochemicals: Synthesis of compounds used in agricultural applications .